(1-oxidanylidene-1-phenylazanyl-butan-2-yl) 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanoate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-butan-2-yl) 2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethanoate Openeye Name: 1-(phenylcarbamoyl)propyl 2-(4-methylsulfonyl-2-nitro-anilino)acetate CAS Name: 2-(4-methylsulfonyl-2-nitroanilino)acetic acid (1-anilino-1-oxobutan-2-yl) ester IUPAC Name: (1-anilino-1-oxobutan-2-yl) 2-(4-methylsulfonyl-2-nitroanilino)acetate Traditional Name: 2-(4-mesyl-2-nitro-anilino)acetic acid 1-(phenylcarbamoyl)propyl ester Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)OC(=O)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)OC(=O)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O7S/c1-3-17(19(24)21-13-7-5-4-6-8-13)29-18(23)12-20-15-10-9-14(30(2,27)28)11-16(15)22(25)26/h4-11,17,20H,3,12H2,1-2H3,(H,21,24)