methyl 4-[[3-(4-ethanoylpiperazin-1-yl)sulfonylphenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[3-(4-ethanoylpiperazin-1-yl)sulfonylphenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]amino]benzoate CAS Name: 4-[[[3-[(4-acetyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]amino]benzoate Traditional Name: 4-[[3-(4-acetylpiperazino)sulfonylbenzoyl]amino]benzoic acid methyl ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6S/c1-15(25)23-10-12-24(13-11-23)31(28,29)19-5-3-4-17(14-19)20(26)22-18-8-6-16(7-9-18)21(27)30-2/h3-9,14H,10-13H2,1-2H3,(H,22,26)