N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-pyrrol-1-yl-benzamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-pyrrol-1-yl-benzamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-3-pyrrol-1-yl-benzamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-(1-pyrrolyl)benzamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-pyrrol-1-ylbenzamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-pyrrol-1-yl-benzamide Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC(=CC=C2)N3C=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC(=CC=C2)N3C=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S/c1-30(28,29)17-7-8-18(19(14-17)24(26)27)21-9-10-22-20(25)15-5-4-6-16(13-15)23-11-2-3-12-23/h2-8,11-14,21H,9-10H2,1H3,(H,22,25)