propan-2-yl 3-[2-[(3-chlorophenyl)-methylsulfonyl-amino]ethanoylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[2-[(3-chlorophenyl)-methylsulfonyl-amino]ethanoylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[[2-(3-chloro-N-methylsulfonyl-anilino)acetyl]amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[2-(3-chloro-N-methylsulfonylanilino)-1-oxoethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[[2-(3-chloro-N-mesyl-anilino)acetyl]amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C21H24ClN3O7S MolecularWeight: 497.94916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O7S/c1-14(2)32-21(27)12-18(17-9-4-5-10-19(17)25(28)29)23-20(26)13-24(33(3,30)31)16-8-6-7-15(22)11-16/h4-11,14,18H,12-13H2,1-3H3,(H,23,26)