1-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-3-(4-dimethylaminophenyl)propan-1-one

Systemtic Name: 1-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-3-(4-dimethylaminophenyl)propan-1-one Openeye Name: 1-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-yl]-3-(4-dimethylaminophenyl)propan-1-one CAS Name: 1-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazinyl]-3-(4-dimethylaminophenyl)-1-propanone IUPAC Name: 1-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-3-(4-dimethylaminophenyl)propan-1-one Traditional Name: 1-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazino]-3-(4-dimethylaminophenyl)propan-1-one Formula: C22H28BrN3O3S MolecularWeight: 494.44502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28BrN3O3S/c1-17-16-20(9-10-21(17)23)30(28,29)26-14-12-25(13-15-26)22(27)11-6-18-4-7-19(8-5-18)24(2)3/h4-5,7-10,16H,6,11-15H2,1-3H3