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

Systemtic Name: methyl (2S)-2-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-3-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-piperidinyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidine-3-carbonyl]amino]-4-methylpentanoate Traditional Name: (2S)-4-methyl-2-[(1-piazthiol-4-ylsulfonylnipecotoyl)amino]valeric acid methyl ester Formula: C19H26N4O5S2 MolecularWeight: 454.56354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C19H26N4O5S2/c1-12(2)10-15(19(25)28-3)20-18(24)13-6-5-9-23(11-13)30(26,27)16-8-4-7-14-17(16)22-29-21-14/h4,7-8,12-13,15H,5-6,9-11H2,1-3H3,(H,20,24)/t13?,15-/m0/s1