phenyl 5-bromanyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate

Systemtic Name: phenyl 5-bromanyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 5-bromo-2-(3-isopropylsulfonylpiperazin-1-yl)benzenesulfonate CAS Name: 5-bromo-2-(3-propan-2-ylsulfonyl-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 5-bromo-2-(3-propan-2-ylsulfonylpiperazin-1-yl)benzenesulfonate Traditional Name: 5-bromo-2-(3-isopropylsulfonylpiperazino)benzenesulfonic acid phenyl ester Formula: C19H23BrN2O5S2 MolecularWeight: 503.43032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=C(C=C2)Br)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=C(C=C2)Br)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C19H23BrN2O5S2/c1-14(2)28(23,24)19-13-22(11-10-21-19)17-9-8-15(20)12-18(17)29(25,26)27-16-6-4-3-5-7-16/h3-9,12,14,19,21H,10-11,13H2,1-2H3