phenyl 4-[2-(ethoxyamino)-1-(3-ethoxypiperazin-1-yl)ethyl]benzenesulfonate

Systemtic Name: phenyl 4-[2-(ethoxyamino)-1-(3-ethoxypiperazin-1-yl)ethyl]benzenesulfonate Openeye Name: phenyl 4-[2-(ethoxyamino)-1-(3-ethoxypiperazin-1-yl)ethyl]benzenesulfonate CAS Name: 4-[2-(ethoxyamino)-1-(3-ethoxy-1-piperazinyl)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(ethoxyamino)-1-(3-ethoxypiperazin-1-yl)ethyl]benzenesulfonate Traditional Name: 4-[2-(ethoxyamino)-1-(3-ethoxypiperazino)ethyl]benzenesulfonic acid phenyl ester Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O5S/c1-3-28-22-17-25(15-14-23-22)21(16-24-29-4-2)18-10-12-20(13-11-18)31(26,27)30-19-8-6-5-7-9-19/h5-13,21-24H,3-4,14-17H2,1-2H3