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

Systemtic Name: phenyl 4-[1-(4-ethylphenyl)-2-(propan-2-ylsulfonylamino)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[1-(4-ethylphenyl)-2-(isopropylsulfonylamino)ethyl]piperazine-2-sulfonate CAS Name: 4-[1-(4-ethylphenyl)-2-(propan-2-ylsulfonylamino)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-(4-ethylphenyl)-2-(propan-2-ylsulfonylamino)ethyl]piperazine-2-sulfonate Traditional Name: 4-[1-(4-ethylphenyl)-2-(isopropylsulfonylamino)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C23H33N3O5S2 MolecularWeight: 495.65522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNS(=O)(=O)C(C)C)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(CNS(=O)(=O)C(C)C)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C23H33N3O5S2/c1-4-19-10-12-20(13-11-19)22(16-25-32(27,28)18(2)3)26-15-14-24-23(17-26)33(29,30)31-21-8-6-5-7-9-21/h5-13,18,22-25H,4,14-17H2,1-3H3