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

Systemtic Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-1-mesyl-isonipecotamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C21H26N2O3S2/c1-15-4-7-20(14-16(15)2)27-19-8-5-18(6-9-19)22-21(24)17-10-12-23(13-11-17)28(3,25)26/h4-9,14,17H,10-13H2,1-3H3,(H,22,24)