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

Systemtic Name: 1-[(3-methylphenyl)methylsulfonyl]-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(m-tolylmethylsulfonyl)-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide CAS Name: 1-[(3-methylphenyl)methylsulfonyl]-N-[4-[(phenylthio)methyl]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-methylphenyl)methylsulfonyl]-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(3-methylbenzyl)sulfonyl-N-[4-[(phenylthio)methyl]phenyl]isonipecotamide Formula: C27H30N2O3S2 MolecularWeight: 494.6687

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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)CSC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O3S2/c1-21-6-5-7-23(18-21)20-34(31,32)29-16-14-24(15-17-29)27(30)28-25-12-10-22(11-13-25)19-33-26-8-3-2-4-9-26/h2-13,18,24H,14-17,19-20H2,1H3,(H,28,30)