4-azanyl-N-[1-(4-butylphenyl)-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-3-yl]benzenesulfonamide

Systemtic Name: 4-azanyl-N-[1-(4-butylphenyl)-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-3-yl]benzenesulfonamide Openeye Name: 4-amino-N-[1-(4-butylphenyl)-2,5-dioxo-4-phenylsulfanyl-pyrrol-3-yl]benzenesulfonamide CAS Name: 4-amino-N-[1-(4-butylphenyl)-2,5-dioxo-4-(phenylthio)-3-pyrrolyl]benzenesulfonamide IUPAC Name: 4-amino-N-[1-(4-butylphenyl)-2,5-dioxo-4-phenylsulfanylpyrrol-3-yl]benzenesulfonamide Traditional Name: 4-amino-N-[1-(4-butylphenyl)-2,5-diketo-4-(phenylthio)-3-pyrrolin-3-yl]benzenesulfonamide Formula: C26H25N3O4S2 MolecularWeight: 507.6244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=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

CCCCC1=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/C26H25N3O4S2/c1-2-3-7-18-10-14-20(15-11-18)29-25(30)23(24(26(29)31)34-21-8-5-4-6-9-21)28-35(32,33)22-16-12-19(27)13-17-22/h4-6,8-17,28H,2-3,7,27H2,1H3