1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-bromanyl-2-methyl-phenyl)piperidine-3-carboxamide

Systemtic Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-bromanyl-2-methyl-phenyl)piperidine-3-carboxamide Openeye Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-bromo-2-methyl-phenyl)piperidine-3-carboxamide CAS Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-bromo-2-methylphenyl)-3-piperidinecarboxamide IUPAC Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-bromo-2-methylphenyl)piperidine-3-carboxamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-1-piazthiol-4-ylsulfonyl-nipecotamide Formula: C19H19BrN4O3S2 MolecularWeight: 495.41316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C19H19BrN4O3S2/c1-12-10-14(20)7-8-15(12)21-19(25)13-4-3-9-24(11-13)29(26,27)17-6-2-5-16-18(17)23-28-22-16/h2,5-8,10,13H,3-4,9,11H2,1H3,(H,21,25)