ethanedioic acid; 4-[[[1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]amino]methyl]benzenesulfonamide

Systemtic Name: ethanedioic acid; 4-[[[1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]amino]methyl]benzenesulfonamide Openeye Name: 4-[[[2-(4-ethylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]amino]methyl]benzenesulfonamide; oxalic acid CAS Name: 4-[[[1-(4-ethyl-1-piperazinyl)-1-oxopropan-2-yl]amino]methyl]benzenesulfonamide; oxalic acid IUPAC Name: 4-[[[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]amino]methyl]benzenesulfonamide; oxalic acid Traditional Name: 4-[[[2-(4-ethylpiperazino)-2-keto-1-methyl-ethyl]amino]methyl]benzenesulfonamide; oxalic acid Formula: C18H28N4O7S MolecularWeight: 444.50252

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)NCC2=CC=C(C=C2)S(=O)(=O)N.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)C(=O)C(C)NCC2=CC=C(C=C2)S(=O)(=O)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H26N4O3S.C2H2O4/c1-3-19-8-10-20(11-9-19)16(21)13(2)18-12-14-4-6-15(7-5-14)24(17,22)23;3-1(4)2(5)6/h4-7,13,18H,3,8-12H2,1-2H3,(H2,17,22,23);(H,3,4)(H,5,6)