1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenoxy)butan-1-one

Systemtic Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenoxy)butan-1-one Openeye Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenoxy)butan-1-one CAS Name: 1-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-4-(3-methylphenoxy)-1-butanone IUPAC Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenoxy)butan-1-one Traditional Name: 1-[4-(3-bromophenyl)sulfonylpiperazino]-4-(3-methylphenoxy)butan-1-one Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O4S/c1-17-5-2-7-19(15-17)28-14-4-9-21(25)23-10-12-24(13-11-23)29(26,27)20-8-3-6-18(22)16-20/h2-3,5-8,15-16H,4,9-14H2,1H3