methyl 1-[3-chloranyl-4-[(4-methylphenyl)sulfonylamino]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[3-chloranyl-4-[(4-methylphenyl)sulfonylamino]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[3-chloro-4-(p-tolylsulfonylamino)benzoyl]piperidine-4-carboxylate CAS Name: 1-[[3-chloro-4-[(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-chloro-4-[(4-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[3-chloro-4-(tosylamino)benzoyl]isonipecotic acid methyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)OC)Cl

InChI

InChI=1S/C21H23ClN2O5S/c1-14-3-6-17(7-4-14)30(27,28)23-19-8-5-16(13-18(19)22)20(25)24-11-9-15(10-12-24)21(26)29-2/h3-8,13,15,23H,9-12H2,1-2H3