(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)butanamide

Systemtic Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)butanamide Openeye Name: (2S)-3-methyl-N-(3-nitrophenyl)-2-(p-tolylsulfonylamino)butanamide CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)butanamide IUPAC Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)butanamide Traditional Name: (2S)-3-methyl-N-(3-nitrophenyl)-2-(tosylamino)butyramide Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-12(2)17(20-27(25,26)16-9-7-13(3)8-10-16)18(22)19-14-5-4-6-15(11-14)21(23)24/h4-12,17,20H,1-3H3,(H,19,22)/t17-/m0/s1