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

Systemtic Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(4-ethanoylphenyl)piperidine-3-carboxamide Openeye Name: (3S)-N-(4-acetylphenyl)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-(4-acetylphenyl)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-acetylphenyl)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-3-carboxamide Traditional Name: (3S)-N-(4-acetylphenyl)-1-piazthiol-4-ylsulfonyl-nipecotamide Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H20N4O4S2/c1-13(25)14-7-9-16(10-8-14)21-20(26)15-4-3-11-24(12-15)30(27,28)18-6-2-5-17-19(18)23-29-22-17/h2,5-10,15H,3-4,11-12H2,1H3,(H,21,26)/t15-/m0/s1