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

Systemtic Name: phenyl 4-[2-(methylsulfanylsulfonylamino)-5-propan-2-ylsulfonyl-phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[5-isopropylsulfonyl-2-(methylsulfanylsulfonylamino)phenyl]piperazine-2-sulfonate CAS Name: 4-[2-[(methylthio)sulfonylamino]-5-propan-2-ylsulfonylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(methylsulfanylsulfonylamino)-5-propan-2-ylsulfonylphenyl]piperazine-2-sulfonate Traditional Name: 4-[5-isopropylsulfonyl-2-[(methylthio)sulfonylamino]phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C20H27N3O7S4 MolecularWeight: 549.70428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O7S4/c1-15(2)32(24,25)17-9-10-18(22-34(28,29)31-3)19(13-17)23-12-11-21-20(14-23)33(26,27)30-16-7-5-4-6-8-16/h4-10,13,15,20-22H,11-12,14H2,1-3H3