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

Systemtic Name: 3-acetamido-3-(4-methylphenyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]propanamide Openeye Name: 3-acetamido-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-3-(p-tolyl)propanamide CAS Name: 3-acetamido-3-(4-methylphenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide IUPAC Name: 3-acetamido-3-(4-methylphenyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]propanamide Traditional Name: 3-acetamido-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-(p-tolyl)propionamide Formula: C21H26N4O6S MolecularWeight: 462.51934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C21H26N4O6S/c1-14-4-6-16(7-5-14)19(24-15(2)26)13-21(27)23-11-10-22-18-9-8-17(32(3,30)31)12-20(18)25(28)29/h4-9,12,19,22H,10-11,13H2,1-3H3,(H,23,27)(H,24,26)