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

Systemtic Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Openeye Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-methyl-4-[(phenylthio)methyl]phenyl]-1-(3-phenylpropylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Traditional Name: N-[2-methyl-4-[(phenylthio)methyl]phenyl]-1-(3-phenylpropylsulfonyl)nipecotamide 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)C3CCCN(C3)S(=O)(=O)CCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3CCCN(C3)S(=O)(=O)CCCC4=CC=CC=C4

InChI

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