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

Systemtic Name: phenyl 3-ethyl-4-[3-(phenylmethyl)piperazin-1-yl]benzenesulfonate Openeye Name: phenyl 4-(3-benzylpiperazin-1-yl)-3-ethyl-benzenesulfonate CAS Name: 3-ethyl-4-[3-(phenylmethyl)-1-piperazinyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(3-benzylpiperazin-1-yl)-3-ethylbenzenesulfonate Traditional Name: 4-(3-benzylpiperazino)-3-ethyl-benzenesulfonic acid phenyl ester Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O3S/c1-2-21-18-24(31(28,29)30-23-11-7-4-8-12-23)13-14-25(21)27-16-15-26-22(19-27)17-20-9-5-3-6-10-20/h3-14,18,22,26H,2,15-17,19H2,1H3