phenyl 4-[5-methyl-2-(propan-2-ylsulfonylsulfonylamino)phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[5-methyl-2-(propan-2-ylsulfonylsulfonylamino)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(isopropylsulfonylsulfonylamino)-5-methyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[5-methyl-2-(propan-2-ylsulfonylsulfonylamino)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[5-methyl-2-(propan-2-ylsulfonylsulfonylamino)phenyl]piperazine-2-sulfonate Traditional Name: 4-[2-(isopropylsulfonylsulfonylamino)-5-methyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C20H27N3O7S3 MolecularWeight: 517.63928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)C(C)C)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)C(C)C)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O7S3/c1-15(2)32(26,27)33(28,29)22-18-10-9-16(3)13-19(18)23-12-11-21-20(14-23)31(24,25)30-17-7-5-4-6-8-17/h4-10,13,15,20-22H,11-12,14H2,1-3H3