2-[4-(2-bromanyl-4-methyl-phenyl)sulfonylpiperazin-1-yl]-N-methyl-ethanamide

Systemtic Name: 2-[4-(2-bromanyl-4-methyl-phenyl)sulfonylpiperazin-1-yl]-N-methyl-ethanamide Openeye Name: 2-[4-(2-bromo-4-methyl-phenyl)sulfonylpiperazin-1-yl]-N-methyl-acetamide CAS Name: 2-[4-(2-bromo-4-methylphenyl)sulfonyl-1-piperazinyl]-N-methylacetamide IUPAC Name: 2-[4-(2-bromo-4-methylphenyl)sulfonylpiperazin-1-yl]-N-methylacetamide Traditional Name: 2-[4-(2-bromo-4-methyl-phenyl)sulfonylpiperazino]-N-methyl-acetamide Formula: C14H20BrN3O3S MolecularWeight: 390.2959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20BrN3O3S/c1-11-3-4-13(12(15)9-11)22(20,21)18-7-5-17(6-8-18)10-14(19)16-2/h3-4,9H,5-8,10H2,1-2H3,(H,16,19)