phenyl 3-methyl-4-[3-(phenylmethyl)piperazin-1-yl]benzenesulfonate

Systemtic Name: phenyl 3-methyl-4-[3-(phenylmethyl)piperazin-1-yl]benzenesulfonate Openeye Name: phenyl 4-(3-benzylpiperazin-1-yl)-3-methyl-benzenesulfonate CAS Name: 3-methyl-4-[3-(phenylmethyl)-1-piperazinyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(3-benzylpiperazin-1-yl)-3-methylbenzenesulfonate Traditional Name: 4-(3-benzylpiperazino)-3-methyl-benzenesulfonic acid phenyl ester Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O3S/c1-19-16-23(30(27,28)29-22-10-6-3-7-11-22)12-13-24(19)26-15-14-25-21(18-26)17-20-8-4-2-5-9-20/h2-13,16,21,25H,14-15,17-18H2,1H3