ethanedioic acid; 4-methyl-N-[2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]benzenesulfonamide

Systemtic Name: ethanedioic acid; 4-methyl-N-[2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]benzenesulfonamide Openeye Name: 4-methyl-N-[2-[4-(tetrahydrofuran-2-ylmethyl)piperazin-1-yl]ethyl]benzenesulfonamide; oxalic acid CAS Name: 4-methyl-N-[2-[4-(2-oxolanylmethyl)-1-piperazinyl]ethyl]benzenesulfonamide; oxalic acid IUPAC Name: 4-methyl-N-[2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]benzenesulfonamide; oxalic acid Traditional Name: 4-methyl-N-[2-[4-(tetrahydrofurfuryl)piperazino]ethyl]benzenesulfonamide; oxalic acid Formula: C20H31N3O7S MolecularWeight: 457.54104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCN2CCN(CC2)CC3CCCO3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCN2CCN(CC2)CC3CCCO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H29N3O3S.C2H2O4/c1-16-4-6-18(7-5-16)25(22,23)19-8-9-20-10-12-21(13-11-20)15-17-3-2-14-24-17;3-1(4)2(5)6/h4-7,17,19H,2-3,8-15H2,1H3;(H,3,4)(H,5,6)