[2-(4-methylpiperazin-1-yl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(4-methylpiperazin-1-yl)phenyl] 4-methylbenzenesulfonate Openeye Name: [2-(4-methylpiperazin-1-yl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(4-methyl-1-piperazinyl)phenyl] ester IUPAC Name: [2-(4-methylpiperazin-1-yl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(4-methylpiperazino)phenyl] ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2N3CCN(CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2N3CCN(CC3)C

InChI

InChI=1S/C18H22N2O3S/c1-15-7-9-16(10-8-15)24(21,22)23-18-6-4-3-5-17(18)20-13-11-19(2)12-14-20/h3-10H,11-14H2,1-2H3