N-(2-ethylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(2-ethylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Openeye Name: N-(2-ethylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(ethylthio)phenyl]-1-(3-phenylpropylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(2-ethylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Traditional Name: N-[2-(ethylthio)phenyl]-1-(3-phenylpropylsulfonyl)isonipecotamide Formula: C23H30N2O3S2 MolecularWeight: 446.6259

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CCSC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O3S2/c1-2-29-22-13-7-6-12-21(22)24-23(26)20-14-16-25(17-15-20)30(27,28)18-8-11-19-9-4-3-5-10-19/h3-7,9-10,12-13,20H,2,8,11,14-18H2,1H3,(H,24,26)