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

Systemtic Name: methyl 4-[[4-(4-methanoylpiperazin-1-yl)sulfonylphenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[4-(4-formylpiperazin-1-yl)sulfonylbenzoyl]amino]benzoate CAS Name: 4-[[[4-[(4-formyl-1-piperazinyl)sulfonyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-formylpiperazin-1-yl)sulfonylbenzoyl]amino]benzoate Traditional Name: 4-[[4-(4-formylpiperazino)sulfonylbenzoyl]amino]benzoic acid methyl ester Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C=O

InChI

InChI=1S/C20H21N3O6S/c1-29-20(26)16-2-6-17(7-3-16)21-19(25)15-4-8-18(9-5-15)30(27,28)23-12-10-22(14-24)11-13-23/h2-9,14H,10-13H2,1H3,(H,21,25)