N-(4-chloranyl-3-methoxy-phenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(4-chloranyl-3-methoxy-phenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(4-chloro-3-methoxy-phenyl)-1-(o-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4-chloro-3-methoxyphenyl)-1-[(2-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(4-chloro-3-methoxyphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(4-chloro-3-methoxy-phenyl)-1-(2-methylbenzyl)sulfonyl-isonipecotamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)OC

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)OC

InChI

InChI=1S/C21H25ClN2O4S/c1-15-5-3-4-6-17(15)14-29(26,27)24-11-9-16(10-12-24)21(25)23-18-7-8-19(22)20(13-18)28-2/h3-8,13,16H,9-12,14H2,1-2H3,(H,23,25)