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

Systemtic Name: phenyl 3-(3-ethoxypiperazin-1-yl)-4-(phenylsulfonylsulfonylamino)benzenesulfonate Openeye Name: phenyl 4-(benzenesulfonylsulfonylamino)-3-(3-ethoxypiperazin-1-yl)benzenesulfonate CAS Name: 4-(benzenesulfonylsulfonylamino)-3-(3-ethoxy-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(benzenesulfonylsulfonylamino)-3-(3-ethoxypiperazin-1-yl)benzenesulfonate Traditional Name: 4-(besylsulfonylamino)-3-(3-ethoxypiperazino)benzenesulfonic acid phenyl ester Formula: C24H27N3O8S3 MolecularWeight: 581.68148

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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)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1CN(CCN1)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O8S3/c1-2-34-24-18-27(16-15-25-24)23-17-21(36(28,29)35-19-9-5-3-6-10-19)13-14-22(23)26-38(32,33)37(30,31)20-11-7-4-8-12-20/h3-14,17,24-26H,2,15-16,18H2,1H3