dimethyl 2-[[3-(4-ethanoylpiperazin-1-yl)sulfonylphenyl]carbonylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[[3-(4-ethanoylpiperazin-1-yl)sulfonylphenyl]carbonylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[[3-[(4-acetyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[3-(4-acetylpiperazino)sulfonylbenzoyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C23H25N3O8S MolecularWeight: 503.5249

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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(C=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O8S/c1-15(27)25-9-11-26(12-10-25)35(31,32)18-6-4-5-16(13-18)21(28)24-20-14-17(22(29)33-2)7-8-19(20)23(30)34-3/h4-8,13-14H,9-12H2,1-3H3,(H,24,28)