8-[[3-methyl-4-[[2-methyl-4-[(8-oxidanyl-7-sulfo-naphthalen-1-yl)amino]phenyl]carbonylcarbamoylcarbamoyl]phenyl]amino]-1-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 8-[[3-methyl-4-[[2-methyl-4-[(8-oxidanyl-7-sulfo-naphthalen-1-yl)amino]phenyl]carbonylcarbamoylcarbamoyl]phenyl]amino]-1-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 1-hydroxy-8-[4-[[4-[(8-hydroxy-7-sulfo-1-naphthyl)amino]-2-methyl-benzoyl]carbamoylcarbamoyl]-3-methyl-anilino]naphthalene-2-sulfonic acid CAS Name: 1-hydroxy-8-[4-[[[[[[4-[(8-hydroxy-7-sulfo-1-naphthalenyl)amino]-2-methylphenyl]-oxomethyl]amino]-oxomethyl]amino]-oxomethyl]-3-methylanilino]-2-naphthalenesulfonic acid IUPAC Name: 1-hydroxy-8-[4-[[4-[(8-hydroxy-7-sulfonaphthalen-1-yl)amino]-2-methylbenzoyl]carbamoylcarbamoyl]-3-methylanilino]naphthalene-2-sulfonic acid Traditional Name: 1-hydroxy-8-[4-[[4-[(8-hydroxy-7-sulfo-1-naphthyl)amino]-2-methyl-benzoyl]carbamoylcarbamoyl]-3-methyl-anilino]naphthalene-2-sulfonic acid Formula: C37H30N4O11S2 MolecularWeight: 770.7843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=CC=CC3=C2C(=C(C=C3)S(=O)(=O)O)O)C(=O)NC(=O)NC(=O)C4=C(C=C(C=C4)NC5=CC=CC6=C5C(=C(C=C6)S(=O)(=O)O)O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=CC=CC3=C2C(=C(C=C3)S(=O)(=O)O)O)C(=O)NC(=O)NC(=O)C4=C(C=C(C=C4)NC5=CC=CC6=C5C(=C(C=C6)S(=O)(=O)O)O)C

InChI

InChI=1S/C37H30N4O11S2/c1-19-17-23(38-27-7-3-5-21-9-15-29(53(47,48)49)33(42)31(21)27)11-13-25(19)35(44)40-37(46)41-36(45)26-14-12-24(18-20(26)2)39-28-8-4-6-22-10-16-30(54(50,51)52)34(43)32(22)28/h3-18,38-39,42-43H,1-2H3,(H,47,48,49)(H,50,51,52)(H2,40,41,44,45,46)