phenyl 4-[2-(bromanylsulfonylamino)-5-propan-2-ylsulfonyl-phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-(bromanylsulfonylamino)-5-propan-2-ylsulfonyl-phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(bromosulfonylamino)-5-isopropylsulfonyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[2-(bromosulfonylamino)-5-propan-2-ylsulfonylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(bromosulfonylamino)-5-propan-2-ylsulfonylphenyl]piperazine-2-sulfonate Traditional Name: 4-[2-(bromosulfonylamino)-5-isopropylsulfonyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C19H24BrN3O7S3 MolecularWeight: 582.50876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=C(C=C1)NS(=O)(=O)Br)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C(C=C1)NS(=O)(=O)Br)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C19H24BrN3O7S3/c1-14(2)31(24,25)16-8-9-17(22-33(20,28)29)18(12-16)23-11-10-21-19(13-23)32(26,27)30-15-6-4-3-5-7-15/h3-9,12,14,19,21-22H,10-11,13H2,1-2H3