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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCOC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCOC3=CC(=CC=C3)Br

InChI

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