butyl 4-[3-[(4-aminophenyl)sulfonylamino]-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-1-yl]benzoate

Systemtic Name: butyl 4-[3-[(4-aminophenyl)sulfonylamino]-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-1-yl]benzoate Openeye Name: butyl 4-[3-[(4-aminophenyl)sulfonylamino]-2,5-dioxo-4-phenylsulfanyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[(4-aminophenyl)sulfonylamino]-2,5-dioxo-4-(phenylthio)-1-pyrrolyl]benzoic acid butyl ester IUPAC Name: butyl 4-[3-[(4-aminophenyl)sulfonylamino]-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]benzoate Traditional Name: 4-[2,5-diketo-3-(phenylthio)-4-(sulfanilylamino)-3-pyrrolin-1-yl]benzoic acid butyl ester Formula: C27H25N3O6S2 MolecularWeight: 551.6339

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)N

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)N

InChI

InChI=1S/C27H25N3O6S2/c1-2-3-17-36-27(33)18-9-13-20(14-10-18)30-25(31)23(24(26(30)32)37-21-7-5-4-6-8-21)29-38(34,35)22-15-11-19(28)12-16-22/h4-16,29H,2-3,17,28H2,1H3