phenyl 4-[1-(4-methylphenyl)-2-(propan-2-ylsulfonylamino)ethyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[1-(4-methylphenyl)-2-(propan-2-ylsulfonylamino)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(isopropylsulfonylamino)-1-(p-tolyl)ethyl]piperazine-2-sulfonate CAS Name: 4-[1-(4-methylphenyl)-2-(propan-2-ylsulfonylamino)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-(4-methylphenyl)-2-(propan-2-ylsulfonylamino)ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(isopropylsulfonylamino)-1-(p-tolyl)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C22H31N3O5S2 MolecularWeight: 481.62864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O5S2/c1-17(2)31(26,27)24-15-21(19-11-9-18(3)10-12-19)25-14-13-23-22(16-25)32(28,29)30-20-7-5-4-6-8-20/h4-12,17,21-24H,13-16H2,1-3H3