butanedioate; N-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]methanesulfonamide

Systemtic Name: butanedioate; N-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]methanesulfonamide Openeye Name: butanedioate; N-[[3-[[4-(2-isopropoxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]methanesulfonamide CAS Name: butanedioate; N-[[3-[[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]methyl]phenyl]methyl]methanesulfonamide IUPAC Name: butanedioate; N-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]methanesulfonamide Traditional Name: N-[3-[[4-(2-isopropoxyphenyl)piperazino]methyl]benzyl]methanesulfonamide; succinate Formula: C26H35N3O7S-2 MolecularWeight: 533.637

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC(=CC=C3)CNS(=O)(=O)C.C(CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC(=CC=C3)CNS(=O)(=O)C.C(CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C22H31N3O3S.C4H6O4/c1-18(2)28-22-10-5-4-9-21(22)25-13-11-24(12-14-25)17-20-8-6-7-19(15-20)16-23-29(3,26)27;5-3(6)1-2-4(7)8/h4-10,15,18,23H,11-14,16-17H2,1-3H3;1-2H2,(H,5,6)(H,7,8)/p-2