N-(2-ethylsulfanylphenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(2-ethylsulfanylphenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(2-ethylsulfanylphenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: N-[2-(ethylthio)phenyl]-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(2-ethylsulfanylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[2-(ethylthio)phenyl]-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCSC1=CC=CC=C1NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O4S2/c1-3-28-20-9-5-4-8-19(20)22-21(24)16-7-6-14-23(15-16)29(25,26)18-12-10-17(27-2)11-13-18/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H,22,24)