methyl 4-[[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]amino]benzoate

Systemtic Name: methyl 4-[[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]amino]benzoate Openeye Name: methyl 4-[[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]amino]benzoate CAS Name: 4-[[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]amino]benzoate Traditional Name: 4-[[2-(4-besylpiperazino)-2-keto-ethyl]amino]benzoic acid methyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O5S/c1-28-20(25)16-7-9-17(10-8-16)21-15-19(24)22-11-13-23(14-12-22)29(26,27)18-5-3-2-4-6-18/h2-10,21H,11-15H2,1H3