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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O4S/c1-17-8-9-21(15-18(17)2)30(27,28)25-12-10-24(11-13-25)22(26)7-4-14-29-20-6-3-5-19(23)16-20/h3,5-6,8-9,15-16H,4,7,10-14H2,1-2H3