1-(2-methylsulfanylphenyl)sulfonyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-(2-methylsulfanylphenyl)sulfonyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(6-isopropyl-1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-[2-(methylthio)phenyl]sulfonyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(2-methylsulfanylphenyl)sulfonyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: N-(6-isopropyl-1,3-benzothiazol-2-yl)-1-[2-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C23H27N3O3S3 MolecularWeight: 489.67378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4SC

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4SC

InChI

InChI=1S/C23H27N3O3S3/c1-15(2)17-8-9-18-20(14-17)31-23(24-18)25-22(27)16-10-12-26(13-11-16)32(28,29)21-7-5-4-6-19(21)30-3/h4-9,14-16H,10-13H2,1-3H3,(H,24,25,27)