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

Systemtic Name: phenyl 4-[5-(2-methylpropyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[5-isobutyl-2-(isopropylsulfonylsulfonylamino)phenyl]piperazine-2-sulfonate CAS Name: 4-[5-(2-methylpropyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[5-(2-methylpropyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]piperazine-2-sulfonate Traditional Name: 4-[5-isobutyl-2-(isopropylsulfonylsulfonylamino)phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C23H33N3O7S3 MolecularWeight: 559.71902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)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

CC(C)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/C23H33N3O7S3/c1-17(2)14-19-10-11-21(25-36(31,32)35(29,30)18(3)4)22(15-19)26-13-12-24-23(16-26)34(27,28)33-20-8-6-5-7-9-20/h5-11,15,17-18,23-25H,12-14,16H2,1-4H3