phenyl 5-methoxy-2-(3-methoxypiperazin-1-yl)benzenesulfonate

Systemtic Name: phenyl 5-methoxy-2-(3-methoxypiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 5-methoxy-2-(3-methoxypiperazin-1-yl)benzenesulfonate CAS Name: 5-methoxy-2-(3-methoxy-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 5-methoxy-2-(3-methoxypiperazin-1-yl)benzenesulfonate Traditional Name: 5-methoxy-2-(3-methoxypiperazino)benzenesulfonic acid phenyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCN1)C2=C(C=C(C=C2)OC)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

COC1CN(CCN1)C2=C(C=C(C=C2)OC)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O5S/c1-23-15-8-9-16(20-11-10-19-18(13-20)24-2)17(12-15)26(21,22)25-14-6-4-3-5-7-14/h3-9,12,18-19H,10-11,13H2,1-2H3