N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-pyrrol-1-yl-benzamide

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-pyrrol-1-yl-benzamide Openeye Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-pyrrol-1-yl-benzamide CAS Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-(1-pyrrolyl)benzamide IUPAC Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-pyrrol-1-ylbenzamide Traditional Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-pyrrol-1-yl-benzamide Formula: C25H22N4O5S2 MolecularWeight: 522.59598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4C=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCCNC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4C=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O5S2/c30-25(19-8-10-20(11-9-19)28-15-4-5-16-28)27-36(33,34)22-12-13-23(24(18-22)29(31)32)26-14-17-35-21-6-2-1-3-7-21/h1-13,15-16,18,26H,14,17H2,(H,27,30)