1-[(2-methylphenyl)methylsulfonyl]-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-[(2-methylphenyl)methylsulfonyl]-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(o-tolylmethylsulfonyl)-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide CAS Name: 1-[(2-methylphenyl)methylsulfonyl]-N-[4-[(phenylthio)methyl]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(2-methylphenyl)methylsulfonyl]-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(2-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=C1CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)CSC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)CSC4=CC=CC=C4

InChI

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