methyl 5-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbamoyl]thiophene-2-carboxylate

Systemtic Name: methyl 5-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbamoyl]thiophene-2-carboxylate Openeye Name: methyl 5-[[3-(3-oxopiperazin-1-yl)sulfonylphenyl]carbamoyl]thiophene-2-carboxylate CAS Name: 5-[oxo-[3-[(3-oxo-1-piperazinyl)sulfonyl]anilino]methyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[3-(3-oxopiperazin-1-yl)sulfonylphenyl]carbamoyl]thiophene-2-carboxylate Traditional Name: 5-[[3-(3-ketopiperazino)sulfonylphenyl]carbamoyl]thiophene-2-carboxylic acid methyl ester Formula: C17H17N3O6S2 MolecularWeight: 423.46338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

COC(=O)C1=CC=C(S1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

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