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

Systemtic Name: phenyl 3-(3-ethoxypiperazin-1-yl)-4-(ethoxysulfonylamino)benzenesulfonate Openeye Name: phenyl 3-(3-ethoxypiperazin-1-yl)-4-(ethoxysulfonylamino)benzenesulfonate CAS Name: 3-(3-ethoxy-1-piperazinyl)-4-(ethoxysulfonylamino)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(3-ethoxypiperazin-1-yl)-4-(ethoxysulfonylamino)benzenesulfonate Traditional Name: 3-(3-ethoxypiperazino)-4-(ethoxysulfonylamino)benzenesulfonic acid phenyl ester Formula: C20H27N3O7S2 MolecularWeight: 485.57428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O7S2/c1-3-28-20-15-23(13-12-21-20)19-14-17(10-11-18(19)22-32(26,27)29-4-2)31(24,25)30-16-8-6-5-7-9-16/h5-11,14,20-22H,3-4,12-13,15H2,1-2H3