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

Systemtic Name: phenyl 4-[1-(3-methoxypiperazin-1-yl)-2-(propan-2-ylsulfonylamino)ethyl]benzenesulfonate Openeye Name: phenyl 4-[2-(isopropylsulfonylamino)-1-(3-methoxypiperazin-1-yl)ethyl]benzenesulfonate CAS Name: 4-[1-(3-methoxy-1-piperazinyl)-2-(propan-2-ylsulfonylamino)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-(3-methoxypiperazin-1-yl)-2-(propan-2-ylsulfonylamino)ethyl]benzenesulfonate Traditional Name: 4-[2-(isopropylsulfonylamino)-1-(3-methoxypiperazino)ethyl]benzenesulfonic acid phenyl ester Formula: C22H31N3O6S2 MolecularWeight: 497.62804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)NCC(C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)OC

Isomeric SMILES

CC(C)S(=O)(=O)NCC(C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)OC

InChI

InChI=1S/C22H31N3O6S2/c1-17(2)32(26,27)24-15-21(25-14-13-23-22(16-25)30-3)18-9-11-20(12-10-18)33(28,29)31-19-7-5-4-6-8-19/h4-12,17,21-24H,13-16H2,1-3H3