methyl 3-[[3-(4-ethanoylpiperazin-1-yl)sulfonylphenyl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[3-(4-ethanoylpiperazin-1-yl)sulfonylphenyl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[3-[(4-acetyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[3-(4-acetylpiperazino)sulfonylbenzoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C19H21N3O6S2 MolecularWeight: 451.51654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C19H21N3O6S2/c1-13(23)21-7-9-22(10-8-21)30(26,27)15-5-3-4-14(12-15)18(24)20-16-6-11-29-17(16)19(25)28-2/h3-6,11-12H,7-10H2,1-2H3,(H,20,24)