methyl 1-[2-[(5-chloranyl-2-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(5-chloranyl-2-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[5-chloro-2-methyl-N-(p-tolylsulfonyl)anilino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(5-chloro-2-methyl-N-tosyl-anilino)acetyl]isonipecotic 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)N(CC(=O)N2CCC(CC2)C(=O)OC)C3=C(C=CC(=C3)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN2O5S/c1-16-4-8-20(9-5-16)32(29,30)26(21-14-19(24)7-6-17(21)2)15-22(27)25-12-10-18(11-13-25)23(28)31-3/h4-9,14,18H,10-13,15H2,1-3H3