N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)isonipecotamide Formula: C19H21N3O3S3 MolecularWeight: 435.58334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)C

InChI

InChI=1S/C19H21N3O3S3/c1-12-10-13(2)17-15(11-12)27-19(20-17)21-18(23)14-5-7-22(8-6-14)28(24,25)16-4-3-9-26-16/h3-4,9-11,14H,5-8H2,1-2H3,(H,20,21,23)