N-(4-bromanyl-2-fluoranyl-phenyl)-3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide CAS Name: N-(4-bromo-2-fluorophenyl)-3-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-3-[4-(3,4-dimethylphenyl)sulfonylpiperazino]propionamide Formula: C21H25BrFN3O3S MolecularWeight: 498.408903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=C(C=C(C=C3)Br)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)NC3=C(C=C(C=C3)Br)F)C

InChI

InChI=1S/C21H25BrFN3O3S/c1-15-3-5-18(13-16(15)2)30(28,29)26-11-9-25(10-12-26)8-7-21(27)24-20-6-4-17(22)14-19(20)23/h3-6,13-14H,7-12H2,1-2H3,(H,24,27)