propan-2-yl 3-(2-nitrophenyl)-3-[3-(phenylsulfonylamino)propanoylamino]propanoate

Systemtic Name: propan-2-yl 3-(2-nitrophenyl)-3-[3-(phenylsulfonylamino)propanoylamino]propanoate Openeye Name: isopropyl 3-[3-(benzenesulfonamido)propanoylamino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[3-(benzenesulfonamido)-1-oxopropyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[3-(benzenesulfonamido)propanoylamino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[3-(benzenesulfonamido)propanoylamino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O7S/c1-15(2)31-21(26)14-18(17-10-6-7-11-19(17)24(27)28)23-20(25)12-13-22-32(29,30)16-8-4-3-5-9-16/h3-11,15,18,22H,12-14H2,1-2H3,(H,23,25)