[3,5-bis(methoxycarbonyl)phenyl]-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium

Systemtic Name: [3,5-bis(methoxycarbonyl)phenyl]-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium Openeye Name: [3,5-bis(methoxycarbonyl)phenyl]-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]ammonium CAS Name: [3,5-bis(methoxycarbonyl)phenyl]-[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]ammonium IUPAC Name: [3,5-bis(methoxycarbonyl)phenyl]-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]azanium Traditional Name: (3,5-dicarbomethoxyphenyl)-[2-keto-2-(4-mesylpiperazino)ethyl]ammonium Formula: C17H24N3O7S+ MolecularWeight: 414.45336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[NH2+]CC(=O)N2CCN(CC2)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[NH2+]CC(=O)N2CCN(CC2)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C17H23N3O7S/c1-26-16(22)12-8-13(17(23)27-2)10-14(9-12)18-11-15(21)19-4-6-20(7-5-19)28(3,24)25/h8-10,18H,4-7,11H2,1-3H3/p+1