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

Systemtic Name: phenyl 4-[1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylsulfonylamino)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[1-(4-isobutylphenyl)-2-(isopropylsulfonylamino)ethyl]piperazine-2-sulfonate CAS Name: 4-[1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylsulfonylamino)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylsulfonylamino)ethyl]piperazine-2-sulfonate Traditional Name: 4-[1-(4-isobutylphenyl)-2-(isopropylsulfonylamino)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C25H37N3O5S2 MolecularWeight: 523.70838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O5S2/c1-19(2)16-21-10-12-22(13-11-21)24(17-27-34(29,30)20(3)4)28-15-14-26-25(18-28)35(31,32)33-23-8-6-5-7-9-23/h5-13,19-20,24-27H,14-18H2,1-4H3