propan-2-yl 3-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]-3-(2-nitrophenyl)propanoate CAS Name: 3-[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-[[2-[methyl(tosyl)amino]acetyl]amino]-3-(2-nitrophenyl)propionic acid isopropyl ester Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O7S/c1-15(2)32-22(27)13-19(18-7-5-6-8-20(18)25(28)29)23-21(26)14-24(4)33(30,31)17-11-9-16(3)10-12-17/h5-12,15,19H,13-14H2,1-4H3,(H,23,26)