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

Systemtic Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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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)C4=CN=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4)C

InChI

InChI=1S/C25H27N3O3S2/c1-18-5-8-23(16-19(18)2)32-22-9-6-21(7-10-22)27-25(29)20-11-14-28(15-12-20)33(30,31)24-4-3-13-26-17-24/h3-10,13,16-17,20H,11-12,14-15H2,1-2H3,(H,27,29)