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

Systemtic Name: (2S)-2-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-4-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-4-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-[(1-piazthiol-4-ylsulfonylisonipecotoyl)amino]butyrate Formula: C17H21N4O5S3- MolecularWeight: 457.56744

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C17H22N4O5S3/c1-27-10-7-13(17(23)24)18-16(22)11-5-8-21(9-6-11)29(25,26)14-4-2-3-12-15(14)20-28-19-12/h2-4,11,13H,5-10H2,1H3,(H,18,22)(H,23,24)/p-1/t13-/m0/s1