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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C21H23N3O3S2/c1-14-11-15(2)19-18(12-14)28-21(22-19)23-20(25)16-7-6-10-24(13-16)29(26,27)17-8-4-3-5-9-17/h3-5,8-9,11-12,16H,6-7,10,13H2,1-2H3,(H,22,23,25)/t16-/m0/s1