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

Systemtic Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-methoxyphenoxy)butan-1-one Openeye Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-methoxyphenoxy)butan-1-one CAS Name: 1-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-4-(4-methoxyphenoxy)-1-butanone IUPAC Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-methoxyphenoxy)butan-1-one Traditional Name: 1-[4-(3-bromophenyl)sulfonylpiperazino]-4-(4-methoxyphenoxy)butan-1-one Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H25BrN2O5S/c1-28-18-7-9-19(10-8-18)29-15-3-6-21(25)23-11-13-24(14-12-23)30(26,27)20-5-2-4-17(22)16-20/h2,4-5,7-10,16H,3,6,11-15H2,1H3