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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)O)O)C(=O)NC(=O)NC(=O)C4=C(C=C(C=C4)NC5=C(C=C(C6=CC=CC=C65)S(=O)(=O)O)O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)O)O)C(=O)NC(=O)NC(=O)C4=C(C=C(C=C4)NC5=C(C=C(C6=CC=CC=C65)S(=O)(=O)O)O)C

InChI

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