methyl 3-(4-chlorophenyl)-3-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-(4-chlorophenyl)-3-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]propanoate Openeye Name: methyl 3-(4-chlorophenyl)-3-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]propanoate CAS Name: 3-(4-chlorophenyl)-3-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-chlorophenyl)-3-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]propanoate Traditional Name: 3-(4-chlorophenyl)-3-[(1-tosylisonipecotoyl)amino]propionic acid methyl ester Formula: C23H27ClN2O5S MolecularWeight: 478.98888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CC(=O)OC)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(CC(=O)OC)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H27ClN2O5S/c1-16-3-9-20(10-4-16)32(29,30)26-13-11-18(12-14-26)23(28)25-21(15-22(27)31-2)17-5-7-19(24)8-6-17/h3-10,18,21H,11-15H2,1-2H3,(H,25,28)