N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pipecolinamide Formula: C19H21N3O5S3 MolecularWeight: 467.58214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(S2)NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)OC

InChI

InChI=1S/C19H21N3O5S3/c1-26-14-10-12-16(11-15(14)27-2)29-19(20-12)21-18(23)13-6-3-4-8-22(13)30(24,25)17-7-5-9-28-17/h5,7,9-11,13H,3-4,6,8H2,1-2H3,(H,20,21,23)