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

Systemtic Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-1-mesyl-nipecotamide 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)C3CCCN(C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3CCCN(C3)S(=O)(=O)C)C

InChI

InChI=1S/C21H26N2O3S2/c1-15-6-9-20(13-16(15)2)27-19-10-7-18(8-11-19)22-21(24)17-5-4-12-23(14-17)28(3,25)26/h6-11,13,17H,4-5,12,14H2,1-3H3,(H,22,24)