3-(4-cyanophenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide

Systemtic Name: 3-(4-cyanophenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide Openeye Name: 3-(4-cyanophenyl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]propanamide CAS Name: 3-(4-cyanophenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide IUPAC Name: 3-(4-cyanophenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide Traditional Name: 3-(4-cyanophenyl)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]propionamide Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CCC2=CC=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CCC2=CC=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S/c1-29(27,28)16-7-8-17(18(12-16)23(25)26)21-10-11-22-19(24)9-6-14-2-4-15(13-20)5-3-14/h2-5,7-8,12,21H,6,9-11H2,1H3,(H,22,24)