7-[[4-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]naphthalene-1,3,5-trisulfonic acid

Systemtic Name: 7-[[4-[(4-azanyl-1-methyl-pyrrol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]naphthalene-1,3,5-trisulfonic acid Openeye Name: 7-[[4-[(4-amino-1-methyl-pyrrole-2-carbonyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]naphthalene-1,3,5-trisulfonic acid CAS Name: 7-[[[4-[[(4-amino-1-methyl-2-pyrrolyl)-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 7-[[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]naphthalene-1,3,5-trisulfonic acid Traditional Name: 7-[[4-[(4-amino-1-methyl-pyrrole-2-carbonyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]naphthalene-1,3,5-trisulfonic acid Formula: C22H21N5O11S3 MolecularWeight: 627.62404

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CC(=C4C=C(C=C(C4=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C)N

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CC(=C4C=C(C=C(C4=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C)N

InChI

InChI=1S/C22H21N5O11S3/c1-26-9-11(23)3-17(26)21(28)25-13-5-18(27(2)10-13)22(29)24-12-4-15-16(19(6-12)40(33,34)35)7-14(39(30,31)32)8-20(15)41(36,37)38/h3-10H,23H2,1-2H3,(H,24,29)(H,25,28)(H,30,31,32)(H,33,34,35)(H,36,37,38)