(2R)-N-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-2-piperidinecarboxamide IUPAC Name: (2R)-N-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide Traditional Name: (2R)-N-(1,3-benzothiazol-2-yl)-1-tosyl-pipecolinamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@@H]2C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3O3S2/c1-14-9-11-15(12-10-14)28(25,26)23-13-5-4-7-17(23)19(24)22-20-21-16-6-2-3-8-18(16)27-20/h2-3,6,8-12,17H,4-5,7,13H2,1H3,(H,21,22,24)/t17-/m1/s1