(3S)-N-butyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-butyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-butyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-butyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-butyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-butyl-1-mesyl-N-(6-methyl-1,3-benzothiazol-2-yl)nipecotamide Formula: C19H27N3O3S2 MolecularWeight: 409.56598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)C3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

CCCCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)[C@H]3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C19H27N3O3S2/c1-4-5-11-22(19-20-16-9-8-14(2)12-17(16)26-19)18(23)15-7-6-10-21(13-15)27(3,24)25/h8-9,12,15H,4-7,10-11,13H2,1-3H3/t15-/m0/s1