N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-(4-pyrrol-1-ylphenyl)ethanamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-2-(4-pyrrol-1-ylphenyl)ethanamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-[4-(1-pyrrolyl)phenyl]acetamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CC2=CC=C(C=C2)N3C=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CC2=CC=C(C=C2)N3C=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S/c1-31(29,30)18-8-9-19(20(15-18)25(27)28)22-10-11-23-21(26)14-16-4-6-17(7-5-16)24-12-2-3-13-24/h2-9,12-13,15,22H,10-11,14H2,1H3,(H,23,26)