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

Systemtic Name: (2S)-2-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-4-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-4-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-4-carbonyl]amino]-4-methylpentanoate Traditional Name: (2S)-4-methyl-2-[(1-piazthiol-4-ylsulfonylisonipecotoyl)amino]valerate Formula: C18H23N4O5S2- MolecularWeight: 439.52902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O5S2/c1-11(2)10-14(18(24)25)19-17(23)12-6-8-22(9-7-12)29(26,27)15-5-3-4-13-16(15)21-28-20-13/h3-5,11-12,14H,6-10H2,1-2H3,(H,19,23)(H,24,25)/p-1/t14-/m0/s1