7-[[4-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]naphthalene-1,3-disulfonic acid

Systemtic Name: 7-[[4-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]naphthalene-1,3-disulfonic acid Openeye Name: 7-[[4-[(4-amino-1-methyl-pyrrole-2-carbonyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]naphthalene-1,3-disulfonic acid CAS Name: 7-[[[4-[[(4-amino-1-methyl-2-pyrrolyl)-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]naphthalene-1,3-disulfonic acid IUPAC Name: 7-[[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]naphthalene-1,3-disulfonic acid Traditional Name: 7-[[4-[(4-amino-1-methyl-pyrrole-2-carbonyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]naphthalene-1,3-disulfonic acid Formula: C22H21N5O8S2 MolecularWeight: 547.56084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)O)C)N

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)O)C)N

InChI

InChI=1S/C22H21N5O8S2/c1-26-10-13(23)6-18(26)21(28)25-15-8-19(27(2)11-15)22(29)24-14-4-3-12-5-16(36(30,31)32)9-20(17(12)7-14)37(33,34)35/h3-11H,23H2,1-2H3,(H,24,29)(H,25,28)(H,30,31,32)(H,33,34,35)