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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)CSC3=CC=CC=C3)S(=O)(=O)CCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)CSC3=CC=CC=C3)S(=O)(=O)CCCC4=CC=CC=C4

InChI

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