4-(5-bromanylthiophen-2-yl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(5-bromanylthiophen-2-yl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(5-bromo-2-thienyl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(5-bromo-2-thiophenyl)-1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(5-bromothiophen-2-yl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(5-bromo-2-thienyl)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]butan-1-one Formula: C20H25BrN2O3S2 MolecularWeight: 485.4581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=CC=C(S3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=CC=C(S3)Br

InChI

InChI=1S/C20H25BrN2O3S2/c1-15-6-7-16(2)18(14-15)28(25,26)23-12-10-22(11-13-23)20(24)5-3-4-17-8-9-19(21)27-17/h6-9,14H,3-5,10-13H2,1-2H3