methyl 2-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]thiazole-5-carboxylate CAS Name: 2-[[oxo-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]methyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[[3-(3-ketopiperazino)sulfonylbenzoyl]amino]thiazole-5-carboxylic acid methyl ester Formula: C16H16N4O6S2 MolecularWeight: 424.45144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

COC(=O)C1=CN=C(S1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C16H16N4O6S2/c1-26-15(23)12-8-18-16(27-12)19-14(22)10-3-2-4-11(7-10)28(24,25)20-6-5-17-13(21)9-20/h2-4,7-8H,5-6,9H2,1H3,(H,17,21)(H,18,19,22)