propan-2-yl 3-[[3,4-dimethyl-5-(methylsulfamoyl)phenyl]carbonylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[[3,4-dimethyl-5-(methylsulfamoyl)phenyl]carbonylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[[3,4-dimethyl-5-(methylsulfamoyl)phenyl]-oxomethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O7S/c1-13(2)32-21(26)12-18(17-8-6-7-9-19(17)25(28)29)24-22(27)16-10-14(3)15(4)20(11-16)33(30,31)23-5/h6-11,13,18,23H,12H2,1-5H3,(H,24,27)