N-(2-ethylsulfanylphenyl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-ethylsulfanylphenyl)-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide CAS Name: N-[2-(ethylthio)phenyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-[2-(ethylthio)phenyl]isonipecotamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCSC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S2/c1-2-27-20-11-7-6-10-19(20)22-21(24)18-12-14-23(15-13-18)28(25,26)16-17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,22,24)