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

Systemtic Name: phenyl 3-(3-bromanylpiperazin-1-yl)-4-(ethoxysulfonylamino)benzenesulfonate Openeye Name: phenyl 3-(3-bromopiperazin-1-yl)-4-(ethoxysulfonylamino)benzenesulfonate CAS Name: 3-(3-bromo-1-piperazinyl)-4-(ethoxysulfonylamino)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(3-bromopiperazin-1-yl)-4-(ethoxysulfonylamino)benzenesulfonate Traditional Name: 3-(3-bromopiperazino)-4-(ethoxysulfonylamino)benzenesulfonic acid phenyl ester Formula: C18H22BrN3O6S2 MolecularWeight: 520.41778

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)Br

Isomeric SMILES

CCOS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)Br

InChI

InChI=1S/C18H22BrN3O6S2/c1-2-27-30(25,26)21-16-9-8-15(12-17(16)22-11-10-20-18(19)13-22)29(23,24)28-14-6-4-3-5-7-14/h3-9,12,18,20-21H,2,10-11,13H2,1H3