N-[(2S)-butan-2-yl]-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-nitro-anilino]-N-[(1S)-1-methylpropyl]acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(2S)-butan-2-yl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[(2S)-butan-2-yl]acetamide Traditional Name: 2-(N-besyl-3-nitro-anilino)-N-[(1S)-1-methylpropyl]acetamide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S/c1-3-14(2)19-18(22)13-20(15-8-7-9-16(12-15)21(23)24)27(25,26)17-10-5-4-6-11-17/h4-12,14H,3,13H2,1-2H3,(H,19,22)/t14-/m0/s1