3-(3-bromanyl-4-methoxy-phenyl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(3-bromo-4-methoxy-phenyl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(3-bromo-4-methoxyphenyl)-1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-bromo-4-methoxyphenyl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazino]propan-1-one Formula: C22H27BrN2O4S MolecularWeight: 495.42978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC(=C(C=C3)OC)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC(=C(C=C3)OC)Br)C

InChI

InChI=1S/C22H27BrN2O4S/c1-16-4-8-21(17(2)14-16)30(27,28)25-12-10-24(11-13-25)22(26)9-6-18-5-7-20(29-3)19(23)15-18/h4-5,7-8,14-15H,6,9-13H2,1-3H3