1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-3-(3-methylphenoxy)propan-1-one

Systemtic Name: 1-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]-3-(3-methylphenoxy)propan-1-one Openeye Name: 1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]-3-(3-methylphenoxy)propan-1-one CAS Name: 1-[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-3-(3-methylphenoxy)-1-propanone IUPAC Name: 1-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(3-methylphenoxy)propan-1-one Traditional Name: 1-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]-3-(3-methylphenoxy)propan-1-one Formula: C20H22ClFN2O4S MolecularWeight: 440.916083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC(=CC=C1)OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H22ClFN2O4S/c1-15-3-2-4-16(13-15)28-12-7-20(25)23-8-10-24(11-9-23)29(26,27)17-5-6-19(22)18(21)14-17/h2-6,13-14H,7-12H2,1H3