2-[(4-methylsulfonyl-2-nitro-phenyl)amino]-N-[(2S)-2-phenylpropyl]ethanamide

Systemtic Name: 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]-N-[(2S)-2-phenylpropyl]ethanamide Openeye Name: 2-(4-methylsulfonyl-2-nitro-anilino)-N-[(2S)-2-phenylpropyl]acetamide CAS Name: 2-(4-methylsulfonyl-2-nitroanilino)-N-[(2S)-2-phenylpropyl]acetamide IUPAC Name: 2-(4-methylsulfonyl-2-nitroanilino)-N-[(2S)-2-phenylpropyl]acetamide Traditional Name: 2-(4-mesyl-2-nitro-anilino)-N-[(2S)-2-phenylpropyl]acetamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

C[C@H](CNC(=O)CNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C18H21N3O5S/c1-13(14-6-4-3-5-7-14)11-20-18(22)12-19-16-9-8-15(27(2,25)26)10-17(16)21(23)24/h3-10,13,19H,11-12H2,1-2H3,(H,20,22)/t13-/m1/s1