methyl 4-[2-[3-oxidanylidene-1-(phenylsulfonyl)piperazin-2-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[3-oxidanylidene-1-(phenylsulfonyl)piperazin-2-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[1-(benzenesulfonyl)-3-oxo-piperazin-2-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[1-(benzenesulfonyl)-3-oxo-2-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-(1-besyl-3-keto-piperazin-2-yl)acetyl]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)CC2C(=O)NCCN2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2S(=O)(=O)C3=CC=CC=C3

InChI

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