propan-2-yl 3-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]-3-(2-nitrophenyl)propanoate

Systemtic Name: propan-2-yl 3-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]-3-(2-nitrophenyl)propanoate Openeye Name: isopropyl 3-(2-nitrophenyl)-3-[3-(p-tolylsulfonylamino)propanoylamino]propanoate CAS Name: 3-[[3-[(4-methylphenyl)sulfonylamino]-1-oxopropyl]amino]-3-(2-nitrophenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]-3-(2-nitrophenyl)propanoate Traditional Name: 3-(2-nitrophenyl)-3-[3-(tosylamino)propanoylamino]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)NCCC(=O)NC(CC(=O)OC(C)C)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O7S/c1-15(2)32-22(27)14-19(18-6-4-5-7-20(18)25(28)29)24-21(26)12-13-23-33(30,31)17-10-8-16(3)9-11-17/h4-11,15,19,23H,12-14H2,1-3H3,(H,24,26)