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

Systemtic Name: phenyl 4-[1-(3-oxidanylpiperazin-1-yl)-2-(propan-2-ylsulfonylamino)ethyl]benzenesulfonate Openeye Name: phenyl 4-[1-(3-hydroxypiperazin-1-yl)-2-(isopropylsulfonylamino)ethyl]benzenesulfonate CAS Name: 4-[1-(3-hydroxy-1-piperazinyl)-2-(propan-2-ylsulfonylamino)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-(3-hydroxypiperazin-1-yl)-2-(propan-2-ylsulfonylamino)ethyl]benzenesulfonate Traditional Name: 4-[1-(3-hydroxypiperazino)-2-(isopropylsulfonylamino)ethyl]benzenesulfonic acid phenyl ester Formula: C21H29N3O6S2 MolecularWeight: 483.60146

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O6S2/c1-16(2)31(26,27)23-14-20(24-13-12-22-21(25)15-24)17-8-10-19(11-9-17)32(28,29)30-18-6-4-3-5-7-18/h3-11,16,20-23,25H,12-15H2,1-2H3