ethanedioic acid; N-(4-fluorophenyl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propyl]benzenesulfonamide

Systemtic Name: ethanedioic acid; N-(4-fluorophenyl)-4-methyl-N-[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propyl]benzenesulfonamide Openeye Name: N-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-4-methyl-benzenesulfonamide; oxalic acid CAS Name: N-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methyl-1-piperazinyl)propyl]-4-methylbenzenesulfonamide; oxalic acid IUPAC Name: N-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-4-methylbenzenesulfonamide; oxalic acid Traditional Name: N-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methylpiperazino)propyl]-4-methyl-benzenesulfonamide; oxalic acid Formula: C23H30FN3O7S MolecularWeight: 511.563603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2CCN(CC2)C)O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2CCN(CC2)C)O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28FN3O3S.C2H2O4/c1-17-3-9-21(10-4-17)29(27,28)25(19-7-5-18(22)6-8-19)16-20(26)15-24-13-11-23(2)12-14-24;3-1(4)2(5)6/h3-10,20,26H,11-16H2,1-2H3;(H,3,4)(H,5,6)