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

Systemtic Name: 1-(3-phenylpropylsulfonyl)-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-3-carboxamide Openeye Name: 1-(3-phenylpropylsulfonyl)-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-3-carboxamide CAS Name: 1-(3-phenylpropylsulfonyl)-N-[4-[(phenylthio)methyl]phenyl]-3-piperidinecarboxamide IUPAC Name: 1-(3-phenylpropylsulfonyl)-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-3-carboxamide Traditional Name: 1-(3-phenylpropylsulfonyl)-N-[4-[(phenylthio)methyl]phenyl]nipecotamide Formula: C28H32N2O3S2 MolecularWeight: 508.69528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CCCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)CSC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CCCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C28H32N2O3S2/c31-28(29-26-17-15-24(16-18-26)22-34-27-13-5-2-6-14-27)25-12-7-19-30(21-25)35(32,33)20-8-11-23-9-3-1-4-10-23/h1-6,9-10,13-18,25H,7-8,11-12,19-22H2,(H,29,31)