N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1-ethylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-1-esyl-isonipecotamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)SC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)SC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C22H28N2O3S2/c1-4-29(26,27)24-13-11-18(12-14-24)22(25)23-19-6-9-20(10-7-19)28-21-8-5-16(2)17(3)15-21/h5-10,15,18H,4,11-14H2,1-3H3,(H,23,25)