4-[[3,5-bis[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3,5-bis[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3,5-bis[(6-sulfo-1-naphthyl)carbamoyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[3,5-bis[oxo-[(6-sulfo-1-naphthalenyl)amino]methyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[3,5-bis[(6-sulfonaphthalen-1-yl)carbamoyl]anilino]-4-oxobutanoic acid Traditional Name: 4-[3,5-bis[(6-sulfo-1-naphthyl)carbamoyl]anilino]-4-keto-butyric acid Formula: C32H25N3O11S2 MolecularWeight: 691.6844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)NC(=O)C3=CC(=CC(=C3)NC(=O)CCC(=O)O)C(=O)NC4=CC=CC5=C4C=CC(=C5)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)NC(=O)C3=CC(=CC(=C3)NC(=O)CCC(=O)O)C(=O)NC4=CC=CC5=C4C=CC(=C5)S(=O)(=O)O

InChI

InChI=1S/C32H25N3O11S2/c36-29(11-12-30(37)38)33-22-14-20(31(39)34-27-5-1-3-18-16-23(47(41,42)43)7-9-25(18)27)13-21(15-22)32(40)35-28-6-2-4-19-17-24(48(44,45)46)8-10-26(19)28/h1-10,13-17H,11-12H2,(H,33,36)(H,34,39)(H,35,40)(H,37,38)(H,41,42,43)(H,44,45,46)