3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-N-cyclohexyl-N-methyl-benzenesulfonamide

Systemtic Name: 3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-N-cyclohexyl-N-methyl-benzenesulfonamide Openeye Name: 3-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-cyclohexyl-N-methyl-benzenesulfonamide CAS Name: 3-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-N-cyclohexyl-N-methylbenzenesulfonamide IUPAC Name: 3-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-cyclohexyl-N-methylbenzenesulfonamide Traditional Name: 3-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-cyclohexyl-N-methyl-benzenesulfonamide Formula: C26H31N3O3S2 MolecularWeight: 497.67264

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CN(C1CCCCC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H31N3O3S2/c1-28(21-9-3-2-4-10-21)34(31,32)22-11-7-8-20(18-22)26(30)29-16-14-19(15-17-29)25-27-23-12-5-6-13-24(23)33-25/h5-8,11-13,18-19,21H,2-4,9-10,14-17H2,1H3