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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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