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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C4

InChI

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