N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Openeye Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-methyl-4-[(phenylthio)methyl]phenyl]-1-(3-phenylpropylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Traditional Name: N-[2-methyl-4-[(phenylthio)methyl]phenyl]-1-(3-phenylpropylsulfonyl)isonipecotamide Formula: C29H34N2O3S2 MolecularWeight: 522.72186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)CCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3CCN(CC3)S(=O)(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C29H34N2O3S2/c1-23-21-25(22-35-27-12-6-3-7-13-27)14-15-28(23)30-29(32)26-16-18-31(19-17-26)36(33,34)20-8-11-24-9-4-2-5-10-24/h2-7,9-10,12-15,21,26H,8,11,16-20,22H2,1H3,(H,30,32)