propan-2-yl 3-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[(1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[(1-methylsulfonylindoline-5-carbonyl)amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[(1-methylsulfonyl-2,3-dihydroindol-5-yl)-oxomethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[(1-mesylindoline-5-carbonyl)amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC3=C(C=C2)N(CC3)S(=O)(=O)C

InChI

InChI=1S/C22H25N3O7S/c1-14(2)32-21(26)13-18(17-6-4-5-7-20(17)25(28)29)23-22(27)16-8-9-19-15(12-16)10-11-24(19)33(3,30)31/h4-9,12,14,18H,10-11,13H2,1-3H3,(H,23,27)