N-(5-chloranyl-2-phenoxy-phenyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(5-chloranyl-2-phenoxy-phenyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(5-chloro-2-phenoxy-phenyl)-1-(m-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-(5-chloro-2-phenoxyphenyl)-1-[(3-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(5-chloro-2-phenoxyphenyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(5-chloro-2-phenoxy-phenyl)-1-(3-methylbenzyl)sulfonyl-isonipecotamide Formula: C26H27ClN2O4S MolecularWeight: 499.02158

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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)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C4

InChI

InChI=1S/C26H27ClN2O4S/c1-19-6-5-7-20(16-19)18-34(31,32)29-14-12-21(13-15-29)26(30)28-24-17-22(27)10-11-25(24)33-23-8-3-2-4-9-23/h2-11,16-17,21H,12-15,18H2,1H3,(H,28,30)