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

Systemtic Name: phenyl 3-(3-ethoxypiperazin-1-yl)-4-(methoxysulfonylamino)benzenesulfonate Openeye Name: phenyl 3-(3-ethoxypiperazin-1-yl)-4-(methoxysulfonylamino)benzenesulfonate CAS Name: 3-(3-ethoxy-1-piperazinyl)-4-(methoxysulfonylamino)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(3-ethoxypiperazin-1-yl)-4-(methoxysulfonylamino)benzenesulfonate Traditional Name: 3-(3-ethoxypiperazino)-4-(methoxysulfonylamino)benzenesulfonic acid phenyl ester Formula: C19H25N3O7S2 MolecularWeight: 471.5477

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O7S2/c1-3-28-19-14-22(12-11-20-19)18-13-16(9-10-17(18)21-31(25,26)27-2)30(23,24)29-15-7-5-4-6-8-15/h4-10,13,19-21H,3,11-12,14H2,1-2H3