2-[(3-nitrophenyl)-(phenylsulfonyl)amino]-N-[(1S)-1-phenylethyl]ethanamide

Systemtic Name: 2-[(3-nitrophenyl)-(phenylsulfonyl)amino]-N-[(1S)-1-phenylethyl]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-nitro-anilino]-N-[(1S)-1-phenylethyl]acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(1S)-1-phenylethyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(1S)-1-phenylethyl]acetamide Traditional Name: 2-(N-besyl-3-nitro-anilino)-N-[(1S)-1-phenylethyl]acetamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O5S/c1-17(18-9-4-2-5-10-18)23-22(26)16-24(19-11-8-12-20(15-19)25(27)28)31(29,30)21-13-6-3-7-14-21/h2-15,17H,16H2,1H3,(H,23,26)/t17-/m0/s1