phenyl 3-(3-methoxypiperazin-1-yl)-4-(phenoxysulfonylsulfonylamino)benzenesulfonate

Systemtic Name: phenyl 3-(3-methoxypiperazin-1-yl)-4-(phenoxysulfonylsulfonylamino)benzenesulfonate Openeye Name: phenyl 3-(3-methoxypiperazin-1-yl)-4-(phenoxysulfonylsulfonylamino)benzenesulfonate CAS Name: 3-(3-methoxy-1-piperazinyl)-4-(phenoxysulfonylsulfonylamino)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(3-methoxypiperazin-1-yl)-4-(phenoxysulfonylsulfonylamino)benzenesulfonate Traditional Name: 3-(3-methoxypiperazino)-4-(phenoxysulfonylsulfonylamino)benzenesulfonic acid phenyl ester Formula: C23H25N3O9S3 MolecularWeight: 583.6543

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCN1)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

COC1CN(CCN1)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O9S3/c1-33-23-17-26(15-14-24-23)22-16-20(36(27,28)34-18-8-4-2-5-9-18)12-13-21(22)25-37(29,30)38(31,32)35-19-10-6-3-7-11-19/h2-13,16,23-25H,14-15,17H2,1H3