1-[5-bromanyl-2-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethoxy]phenyl]propan-1-one

Systemtic Name: 1-[5-bromanyl-2-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethoxy]phenyl]propan-1-one Openeye Name: 1-[2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethoxy]-5-bromo-phenyl]propan-1-one CAS Name: 1-[2-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethoxy]-5-bromophenyl]-1-propanone IUPAC Name: 1-[2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethoxy]-5-bromophenyl]propan-1-one Traditional Name: 1-[2-[2-(4-besylpiperazino)-2-keto-ethoxy]-5-bromo-phenyl]propan-1-one Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=CC(=C1)Br)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)C1=C(C=CC(=C1)Br)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23BrN2O5S/c1-2-19(25)18-14-16(22)8-9-20(18)29-15-21(26)23-10-12-24(13-11-23)30(27,28)17-6-4-3-5-7-17/h3-9,14H,2,10-13,15H2,1H3