phenyl 4-(3-methoxypiperazin-1-yl)-3-propyl-benzenesulfonate

Systemtic Name: phenyl 4-(3-methoxypiperazin-1-yl)-3-propyl-benzenesulfonate Openeye Name: phenyl 4-(3-methoxypiperazin-1-yl)-3-propyl-benzenesulfonate CAS Name: 4-(3-methoxy-1-piperazinyl)-3-propylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(3-methoxypiperazin-1-yl)-3-propylbenzenesulfonate Traditional Name: 4-(3-methoxypiperazino)-3-propyl-benzenesulfonic acid phenyl ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S/c1-3-7-16-14-18(27(23,24)26-17-8-5-4-6-9-17)10-11-19(16)22-13-12-21-20(15-22)25-2/h4-6,8-11,14,20-21H,3,7,12-13,15H2,1-2H3