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

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[1-(phenylmethyl)pyrrol-3-yl]benzamide Openeye Name: 4-(1-benzylpyrrol-3-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-[1-(phenylmethyl)-3-pyrrolyl]benzamide IUPAC Name: 4-(1-benzylpyrrol-3-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(1-benzylpyrrol-3-yl)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C32H28N4O5S2 MolecularWeight: 612.71852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=CC(=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=CC(=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C32H28N4O5S2/c37-32(26-13-11-25(12-14-26)27-17-19-35(23-27)22-24-7-3-1-4-8-24)34-43(40,41)29-15-16-30(31(21-29)36(38)39)33-18-20-42-28-9-5-2-6-10-28/h1-17,19,21,23,33H,18,20,22H2,(H,34,37)