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

Systemtic Name: phenyl 4-[2-(propan-2-ylsulfonylsulfonylamino)-5-propyl-phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(isopropylsulfonylsulfonylamino)-5-propyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[2-(propan-2-ylsulfonylsulfonylamino)-5-propylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(propan-2-ylsulfonylsulfonylamino)-5-propylphenyl]piperazine-2-sulfonate Traditional Name: 4-[2-(isopropylsulfonylsulfonylamino)-5-propyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C22H31N3O7S3 MolecularWeight: 545.69244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)C(C)C)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCC1=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/C22H31N3O7S3/c1-4-8-18-11-12-20(24-35(30,31)34(28,29)17(2)3)21(15-18)25-14-13-23-22(16-25)33(26,27)32-19-9-6-5-7-10-19/h5-7,9-12,15,17,22-24H,4,8,13-14,16H2,1-3H3