N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: 1-besyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)nipecotamide Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O5S2/c1-28-16-10-11-17(29-2)19-18(16)22-21(30-19)23-20(25)14-7-6-12-24(13-14)31(26,27)15-8-4-3-5-9-15/h3-5,8-11,14H,6-7,12-13H2,1-2H3,(H,22,23,25)