1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide

Systemtic Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide Openeye Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide CAS Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[3-(methylthio)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide Traditional Name: N-[3-(methylthio)phenyl]-1-piazthiol-4-ylsulfonyl-nipecotamide Formula: C19H20N4O3S3 MolecularWeight: 448.5821

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H20N4O3S3/c1-27-15-7-2-6-14(11-15)20-19(24)13-5-4-10-23(12-13)29(25,26)17-9-3-8-16-18(17)22-28-21-16/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,20,24)