methyl 3-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate CAS Name: 3-[[oxo-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[3-(3-ketopiperazino)sulfonylbenzoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C17H17N3O6S2 MolecularWeight: 423.46338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C17H17N3O6S2/c1-26-17(23)15-13(5-8-27-15)19-16(22)11-3-2-4-12(9-11)28(24,25)20-7-6-18-14(21)10-20/h2-5,8-9H,6-7,10H2,1H3,(H,18,21)(H,19,22)