1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-3-(3,5-dimethylphenoxy)propan-1-one

Systemtic Name: 1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]-3-(3,5-dimethylphenoxy)propan-1-one Openeye Name: 1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]-3-(3,5-dimethylphenoxy)propan-1-one CAS Name: 1-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-3-(3,5-dimethylphenoxy)-1-propanone IUPAC Name: 1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-3-(3,5-dimethylphenoxy)propan-1-one Traditional Name: 1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]-3-(3,5-dimethylphenoxy)propan-1-one Formula: C19H23BrN2O4S2 MolecularWeight: 487.43092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)C

InChI

InChI=1S/C19H23BrN2O4S2/c1-14-11-15(2)13-16(12-14)26-10-5-18(23)21-6-8-22(9-7-21)28(24,25)19-4-3-17(20)27-19/h3-4,11-13H,5-10H2,1-2H3