phenyl 4-[1-(3-ethoxypiperazin-1-yl)-2-(propan-2-ylsulfonylamino)ethyl]benzenesulfonate

Systemtic Name: phenyl 4-[1-(3-ethoxypiperazin-1-yl)-2-(propan-2-ylsulfonylamino)ethyl]benzenesulfonate Openeye Name: phenyl 4-[1-(3-ethoxypiperazin-1-yl)-2-(isopropylsulfonylamino)ethyl]benzenesulfonate CAS Name: 4-[1-(3-ethoxy-1-piperazinyl)-2-(propan-2-ylsulfonylamino)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-(3-ethoxypiperazin-1-yl)-2-(propan-2-ylsulfonylamino)ethyl]benzenesulfonate Traditional Name: 4-[1-(3-ethoxypiperazino)-2-(isopropylsulfonylamino)ethyl]benzenesulfonic acid phenyl ester Formula: C23H33N3O6S2 MolecularWeight: 511.65462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CCN1)C(CNS(=O)(=O)C(C)C)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCOC1CN(CCN1)C(CNS(=O)(=O)C(C)C)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C23H33N3O6S2/c1-4-31-23-17-26(15-14-24-23)22(16-25-33(27,28)18(2)3)19-10-12-21(13-11-19)34(29,30)32-20-8-6-5-7-9-20/h5-13,18,22-25H,4,14-17H2,1-3H3