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

Systemtic Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide CAS Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-methoxypropyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide Traditional Name: (3S)-N-(3-methoxypropyl)-1-piazthiol-4-ylsulfonyl-nipecotamide Formula: C16H22N4O4S2 MolecularWeight: 398.50028

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

COCCCNC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C16H22N4O4S2/c1-24-10-4-8-17-16(21)12-5-3-9-20(11-12)26(22,23)14-7-2-6-13-15(14)19-25-18-13/h2,6-7,12H,3-5,8-11H2,1H3,(H,17,21)/t12-/m0/s1