N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-besyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C21H23N3O3S2/c1-14-12-15(2)19-18(13-14)28-21(22-19)23-20(25)16-8-10-24(11-9-16)29(26,27)17-6-4-3-5-7-17/h3-7,12-13,16H,8-11H2,1-2H3,(H,22,23,25)