(3S)-1-(4-methylphenyl)sulfonyl-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-methylphenyl)sulfonyl-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide Openeye Name: (3S)-N-(2-phenylsulfanylphenyl)-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-1-(4-methylphenyl)sulfonyl-N-[2-(phenylthio)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-methylphenyl)sulfonyl-N-(2-phenylsulfanylphenyl)piperidine-3-carboxamide Traditional Name: (3S)-N-[2-(phenylthio)phenyl]-1-tosyl-nipecotamide Formula: C25H26N2O3S2 MolecularWeight: 466.61554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O3S2/c1-19-13-15-22(16-14-19)32(29,30)27-17-7-8-20(18-27)25(28)26-23-11-5-6-12-24(23)31-21-9-3-2-4-10-21/h2-6,9-16,20H,7-8,17-18H2,1H3,(H,26,28)/t20-/m0/s1