1-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-2-methoxy-ethanone

Systemtic Name: 1-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-2-methoxy-ethanone Openeye Name: 1-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-yl]-2-methoxy-ethanone CAS Name: 1-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazinyl]-2-methoxyethanone IUPAC Name: 1-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone Traditional Name: 1-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazino]-2-methoxy-ethanone Formula: C14H19BrN2O4S MolecularWeight: 391.28066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrN2O4S/c1-11-9-12(3-4-13(11)15)22(19,20)17-7-5-16(6-8-17)14(18)10-21-2/h3-4,9H,5-8,10H2,1-2H3