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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

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