4-(4-bromanylphenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-bromanylphenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(4-bromophenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(4-bromophenoxy)-1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-bromophenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(4-bromophenoxy)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]butan-1-one Formula: C22H27BrN2O4S MolecularWeight: 495.42978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCOC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCOC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C22H27BrN2O4S/c1-17-5-10-21(16-18(17)2)30(27,28)25-13-11-24(12-14-25)22(26)4-3-15-29-20-8-6-19(23)7-9-20/h5-10,16H,3-4,11-15H2,1-2H3