(3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(5-methylthiazol-2-yl)piperidine-3-carboxamide CAS Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(5-methyl-2-thiazolyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-N-(5-methylthiazol-2-yl)-1-piazthiol-4-ylsulfonyl-nipecotamide Formula: C16H17N5O3S3 MolecularWeight: 423.53288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(S1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=CN=C(S1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C16H17N5O3S3/c1-10-8-17-16(25-10)18-15(22)11-4-3-7-21(9-11)27(23,24)13-6-2-5-12-14(13)20-26-19-12/h2,5-6,8,11H,3-4,7,9H2,1H3,(H,17,18,22)/t11-/m0/s1