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

Systemtic Name: 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-N-(2-methylphenyl)benzenesulfonamide Openeye Name: 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-(o-tolyl)benzenesulfonamide CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-N-(2-methylphenyl)benzenesulfonamide IUPAC Name: 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-(2-methylphenyl)benzenesulfonamide Traditional Name: 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-(o-tolyl)benzenesulfonamide Formula: C26H25N3O3S2 MolecularWeight: 491.625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H25N3O3S2/c1-18-6-2-3-7-22(18)28-34(31,32)21-12-10-20(11-13-21)26(30)29-16-14-19(15-17-29)25-27-23-8-4-5-9-24(23)33-25/h2-13,19,28H,14-17H2,1H3