phenyl 4-(3-ethoxypiperazin-1-yl)-3-(2-methylpropyl)benzenesulfonate

Systemtic Name: phenyl 4-(3-ethoxypiperazin-1-yl)-3-(2-methylpropyl)benzenesulfonate Openeye Name: phenyl 4-(3-ethoxypiperazin-1-yl)-3-isobutyl-benzenesulfonate CAS Name: 4-(3-ethoxy-1-piperazinyl)-3-(2-methylpropyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(3-ethoxypiperazin-1-yl)-3-(2-methylpropyl)benzenesulfonate Traditional Name: 4-(3-ethoxypiperazino)-3-isobutyl-benzenesulfonic acid phenyl ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CCN1)C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)CC(C)C

Isomeric SMILES

CCOC1CN(CCN1)C2=C(C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3)CC(C)C

InChI

InChI=1S/C22H30N2O4S/c1-4-27-22-16-24(13-12-23-22)21-11-10-20(15-18(21)14-17(2)3)29(25,26)28-19-8-6-5-7-9-19/h5-11,15,17,22-23H,4,12-14,16H2,1-3H3