[(2R)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [(2R)-1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [(1R)-1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 4-(2-thienylsulfonylamino)benzoate CAS Name: 4-(thiophen-2-ylsulfonylamino)benzoic acid [(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 4-(2-thienylsulfonylamino)benzoic acid [(1R)-2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C20H17N3O7S2 MolecularWeight: 475.49488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H17N3O7S2/c1-13(19(24)21-15-8-10-17(11-9-15)23(26)27)30-20(25)14-4-6-16(7-5-14)22-32(28,29)18-3-2-12-31-18/h2-13,22H,1H3,(H,21,24)/t13-/m1/s1