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

Systemtic Name: methyl 1-[2-[(5-chloranyl-2-methyl-phenyl)-(phenylsulfonyl)amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[N-(benzenesulfonyl)-5-chloro-2-methyl-anilino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-besyl-5-chloro-2-methyl-anilino)acetyl]isonipecotic acid methyl ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O5S/c1-16-8-9-18(23)14-20(16)25(31(28,29)19-6-4-3-5-7-19)15-21(26)24-12-10-17(11-13-24)22(27)30-2/h3-9,14,17H,10-13,15H2,1-2H3