N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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