7-[[4-[[5-[(6,8-disulfonaphthalen-2-yl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]naphthalene-1,3-disulfonic acid; sodium

Systemtic Name: 7-[[4-[[5-[(6,8-disulfonaphthalen-2-yl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]naphthalene-1,3-disulfonic acid; sodium Openeye Name: 7-[[4-[[5-[(6,8-disulfo-2-naphthyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoylamino]-1-methyl-pyrrole-2-carbonyl]amino]naphthalene-1,3-disulfonic acid; sodium CAS Name: 7-[[[4-[[[[5-[[(6,8-disulfo-2-naphthalenyl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]amino]-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]naphthalene-1,3-disulfonic acid; sodium IUPAC Name: 7-[[4-[[5-[(6,8-disulfonaphthalen-2-yl)carbamoyl]-1-methylpyrrol-3-yl]carbamoylamino]-1-methylpyrrole-2-carbonyl]amino]naphthalene-1,3-disulfonic acid; sodium Traditional Name: 7-[[4-[[5-[(6,8-disulfo-2-naphthyl)carbamoyl]-1-methyl-pyrrol-3-yl]carbamoylamino]-1-methyl-pyrrole-2-carbonyl]amino]naphthalene-1,3-disulfonic acid; sodium Formula: C33H28N6NaO15S4 MolecularWeight: 899.85639

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)NC(=O)NC4=CN(C(=C4)C(=O)NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)O)S(=O)(=O)O)C.[Na]

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)NC(=O)NC4=CN(C(=C4)C(=O)NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)O)S(=O)(=O)O)C.[Na]

InChI

InChI=1S/C33H28N6O15S4.Na/c1-38-15-21(11-27(38)31(40)34-19-5-3-17-7-23(55(43,44)45)13-29(25(17)9-19)57(49,50)51)36-33(42)37-22-12-28(39(2)16-22)32(41)35-20-6-4-18-8-24(56(46,47)48)14-30(26(18)10-20)58(52,53)54;/h3-16H,1-2H3,(H,34,40)(H,35,41)(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);