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

Systemtic Name: methyl 4-chloranyl-2-[[4-(4-methylsulfonylpiperazin-1-yl)-4-oxidanylidene-butanoyl]amino]benzoate Openeye Name: methyl 4-chloro-2-[[4-(4-methylsulfonylpiperazin-1-yl)-4-oxo-butanoyl]amino]benzoate CAS Name: 4-chloro-2-[[4-(4-methylsulfonyl-1-piperazinyl)-1,4-dioxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[[4-(4-methylsulfonylpiperazin-1-yl)-4-oxobutanoyl]amino]benzoate Traditional Name: 4-chloro-2-[[4-keto-4-(4-mesylpiperazino)butanoyl]amino]benzoic acid methyl ester Formula: C17H22ClN3O6S MolecularWeight: 431.89108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C17H22ClN3O6S/c1-27-17(24)13-4-3-12(18)11-14(13)19-15(22)5-6-16(23)20-7-9-21(10-8-20)28(2,25)26/h3-4,11H,5-10H2,1-2H3,(H,19,22)