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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-1-(m-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-(3-chloro-2-methylphenyl)-1-[(3-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(3-chloro-2-methylphenyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-1-(3-methylbenzyl)sulfonyl-isonipecotamide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C(=CC=C3)Cl)C

InChI

InChI=1S/C21H25ClN2O3S/c1-15-5-3-6-17(13-15)14-28(26,27)24-11-9-18(10-12-24)21(25)23-20-8-4-7-19(22)16(20)2/h3-8,13,18H,9-12,14H2,1-2H3,(H,23,25)