1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-3-(3-fluoranyl-4-methoxy-phenyl)propan-1-one

Systemtic Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-3-(3-fluoranyl-4-methoxy-phenyl)propan-1-one Openeye Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-3-(3-fluoro-4-methoxy-phenyl)propan-1-one CAS Name: 1-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-3-(3-fluoro-4-methoxyphenyl)-1-propanone IUPAC Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one Traditional Name: 1-[4-(3-bromophenyl)sulfonylpiperazino]-3-(3-fluoro-4-methoxy-phenyl)propan-1-one Formula: C20H22BrFN2O4S MolecularWeight: 485.367083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrFN2O4S/c1-28-19-7-5-15(13-18(19)22)6-8-20(25)23-9-11-24(12-10-23)29(26,27)17-4-2-3-16(21)14-17/h2-5,7,13-14H,6,8-12H2,1H3