N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)nipecotamide Formula: C19H21N3O3S3 MolecularWeight: 435.58334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4)C

InChI

InChI=1S/C19H21N3O3S3/c1-12-7-8-15-17(13(12)2)20-19(27-15)21-18(23)14-5-3-9-22(11-14)28(24,25)16-6-4-10-26-16/h4,6-8,10,14H,3,5,9,11H2,1-2H3,(H,20,21,23)