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

Systemtic Name: phenyl 4-[2-(propan-2-ylsulfonylamino)-1-(4-propylphenyl)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(isopropylsulfonylamino)-1-(4-propylphenyl)ethyl]piperazine-2-sulfonate CAS Name: 4-[2-(propan-2-ylsulfonylamino)-1-(4-propylphenyl)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(propan-2-ylsulfonylamino)-1-(4-propylphenyl)ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(isopropylsulfonylamino)-1-(4-propylphenyl)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C24H35N3O5S2 MolecularWeight: 509.6818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3O5S2/c1-4-8-20-11-13-21(14-12-20)23(17-26-33(28,29)19(2)3)27-16-15-25-24(18-27)34(30,31)32-22-9-6-5-7-10-22/h5-7,9-14,19,23-26H,4,8,15-18H2,1-3H3