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

Systemtic Name: ethanedioic acid; N-(4-fluorophenyl)-4-methyl-N-(2-oxidanyl-3-piperazin-1-yl-propyl)benzenesulfonamide Openeye Name: N-(4-fluorophenyl)-N-(2-hydroxy-3-piperazin-1-yl-propyl)-4-methyl-benzenesulfonamide; oxalic acid CAS Name: N-(4-fluorophenyl)-N-[2-hydroxy-3-(1-piperazinyl)propyl]-4-methylbenzenesulfonamide; oxalic acid IUPAC Name: N-(4-fluorophenyl)-N-(2-hydroxy-3-piperazin-1-ylpropyl)-4-methylbenzenesulfonamide; oxalic acid Traditional Name: N-(4-fluorophenyl)-N-(2-hydroxy-3-piperazino-propyl)-4-methyl-benzenesulfonamide; oxalic acid Formula: C22H28FN3O7S MolecularWeight: 497.537023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN2CCNCC2)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(CN2CCNCC2)O)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H26FN3O3S.C2H2O4/c1-16-2-8-20(9-3-16)28(26,27)24(18-6-4-17(21)5-7-18)15-19(25)14-23-12-10-22-11-13-23;3-1(4)2(5)6/h2-9,19,22,25H,10-15H2,1H3;(H,3,4)(H,5,6)