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

Systemtic Name: phenyl 4-[3-(phenylmethyl)piperazin-1-yl]-3-propyl-benzenesulfonate Openeye Name: phenyl 4-(3-benzylpiperazin-1-yl)-3-propyl-benzenesulfonate CAS Name: 4-[3-(phenylmethyl)-1-piperazinyl]-3-propylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(3-benzylpiperazin-1-yl)-3-propylbenzenesulfonate Traditional Name: 4-(3-benzylpiperazino)-3-propyl-benzenesulfonic acid phenyl ester Formula: C26H30N2O3S MolecularWeight: 450.593

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

Isomeric SMILES

CCCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O3S/c1-2-9-22-19-25(32(29,30)31-24-12-7-4-8-13-24)14-15-26(22)28-17-16-27-23(20-28)18-21-10-5-3-6-11-21/h3-8,10-15,19,23,27H,2,9,16-18,20H2,1H3