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

Systemtic Name: phenyl 4-[1-(3-bromanylpiperazin-1-yl)-2-(propan-2-ylsulfonylamino)ethyl]benzenesulfonate Openeye Name: phenyl 4-[1-(3-bromopiperazin-1-yl)-2-(isopropylsulfonylamino)ethyl]benzenesulfonate CAS Name: 4-[1-(3-bromo-1-piperazinyl)-2-(propan-2-ylsulfonylamino)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-(3-bromopiperazin-1-yl)-2-(propan-2-ylsulfonylamino)ethyl]benzenesulfonate Traditional Name: 4-[1-(3-bromopiperazino)-2-(isopropylsulfonylamino)ethyl]benzenesulfonic acid phenyl ester Formula: C21H28BrN3O5S2 MolecularWeight: 546.49812

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrN3O5S2/c1-16(2)31(26,27)24-14-20(25-13-12-23-21(22)15-25)17-8-10-19(11-9-17)32(28,29)30-18-6-4-3-5-7-18/h3-11,16,20-21,23-24H,12-15H2,1-2H3