methyl 2-[[4-(4-methylsulfonylpiperazin-1-yl)-4-oxidanylidene-butanoyl]amino]benzoate

Systemtic Name: methyl 2-[[4-(4-methylsulfonylpiperazin-1-yl)-4-oxidanylidene-butanoyl]amino]benzoate Openeye Name: methyl 2-[[4-(4-methylsulfonylpiperazin-1-yl)-4-oxo-butanoyl]amino]benzoate CAS Name: 2-[[4-(4-methylsulfonyl-1-piperazinyl)-1,4-dioxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methylsulfonylpiperazin-1-yl)-4-oxobutanoyl]amino]benzoate Traditional Name: 2-[[4-keto-4-(4-mesylpiperazino)butanoyl]amino]benzoic acid methyl ester Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C17H23N3O6S/c1-26-17(23)13-5-3-4-6-14(13)18-15(21)7-8-16(22)19-9-11-20(12-10-19)27(2,24)25/h3-6H,7-12H2,1-2H3,(H,18,21)