1-(1,3-benzothiazol-2-yl)-N-(2,6-dimethoxypyridin-3-yl)-N-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-N-(2,6-dimethoxypyridin-3-yl)-N-methylsulfonyl-piperidine-4-carboxamide Openeye Name: 1-(1,3-benzothiazol-2-yl)-N-(2,6-dimethoxy-3-pyridyl)-N-methylsulfonyl-piperidine-4-carboxamide CAS Name: 1-(1,3-benzothiazol-2-yl)-N-(2,6-dimethoxy-3-pyridinyl)-N-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: 1-(1,3-benzothiazol-2-yl)-N-(2,6-dimethoxypyridin-3-yl)-N-methylsulfonylpiperidine-4-carboxamide Traditional Name: 1-(1,3-benzothiazol-2-yl)-N-(2,6-dimethoxy-3-pyridyl)-N-mesyl-isonipecotamide Formula: C21H24N4O5S2 MolecularWeight: 476.56906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)N(C(=O)C2CCN(CC2)C3=NC4=CC=CC=C4S3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=NC(=C(C=C1)N(C(=O)C2CCN(CC2)C3=NC4=CC=CC=C4S3)S(=O)(=O)C)OC

InChI

InChI=1S/C21H24N4O5S2/c1-29-18-9-8-16(19(23-18)30-2)25(32(3,27)28)20(26)14-10-12-24(13-11-14)21-22-15-6-4-5-7-17(15)31-21/h4-9,14H,10-13H2,1-3H3