phenyl 4-(3-ethoxypiperazin-1-yl)-3-methyl-benzenesulfonate

Systemtic Name: phenyl 4-(3-ethoxypiperazin-1-yl)-3-methyl-benzenesulfonate Openeye Name: phenyl 4-(3-ethoxypiperazin-1-yl)-3-methyl-benzenesulfonate CAS Name: 4-(3-ethoxy-1-piperazinyl)-3-methylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(3-ethoxypiperazin-1-yl)-3-methylbenzenesulfonate Traditional Name: 4-(3-ethoxypiperazino)-3-methyl-benzenesulfonic acid phenyl ester Formula: C19H24N2O4S MolecularWeight: 376.46986

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O4S/c1-3-24-19-14-21(12-11-20-19)18-10-9-17(13-15(18)2)26(22,23)25-16-7-5-4-6-8-16/h4-10,13,19-20H,3,11-12,14H2,1-2H3