(3S)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-isobutyl-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-methylpropyl)-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-isobutyl-1-mesyl-nipecotamide Formula: C20H29N3O3S2 MolecularWeight: 423.59256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CC(C)C)C(=O)C3CCCN(C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CC(C)C)C(=O)[C@H]3CCCN(C3)S(=O)(=O)C)C

InChI

InChI=1S/C20H29N3O3S2/c1-13(2)11-23(19(24)16-7-6-8-22(12-16)28(5,25)26)20-21-17-10-14(3)9-15(4)18(17)27-20/h9-10,13,16H,6-8,11-12H2,1-5H3/t16-/m0/s1