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

Systemtic Name: phenyl 3-(3-ethoxypiperazin-1-yl)-4-(methylsulfanylsulfonylamino)benzenesulfonate Openeye Name: phenyl 3-(3-ethoxypiperazin-1-yl)-4-(methylsulfanylsulfonylamino)benzenesulfonate CAS Name: 3-(3-ethoxy-1-piperazinyl)-4-[(methylthio)sulfonylamino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(3-ethoxypiperazin-1-yl)-4-(methylsulfanylsulfonylamino)benzenesulfonate Traditional Name: 3-(3-ethoxypiperazino)-4-[(methylthio)sulfonylamino]benzenesulfonic acid phenyl ester Formula: C19H25N3O6S3 MolecularWeight: 487.6133

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O6S3/c1-3-27-19-14-22(12-11-20-19)18-13-16(9-10-17(18)21-31(25,26)29-2)30(23,24)28-15-7-5-4-6-8-15/h4-10,13,19-21H,3,11-12,14H2,1-2H3