methyl 2-[[(3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[(3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[(3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-3-carbonyl]amino]acetate CAS Name: 2-[[[(3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-piperidinyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[(3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-3-carbonyl]amino]acetate Traditional Name: 2-[[(3S)-1-piazthiol-4-ylsulfonylnipecotoyl]amino]acetic acid methyl ester Formula: C15H18N4O5S2 MolecularWeight: 398.45722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O5S2/c1-24-13(20)8-16-15(21)10-4-3-7-19(9-10)26(22,23)12-6-2-5-11-14(12)18-25-17-11/h2,5-6,10H,3-4,7-9H2,1H3,(H,16,21)/t10-/m0/s1