2-[4-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonylpiperazin-1-yl]-N-butan-2-yl-ethanamide

Systemtic Name: 2-[4-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonylpiperazin-1-yl]-N-butan-2-yl-ethanamide Openeye Name: 2-[4-(2-bromo-4,5-dimethoxy-phenyl)sulfonylpiperazin-1-yl]-N-sec-butyl-acetamide CAS Name: 2-[4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]-N-butan-2-ylacetamide IUPAC Name: 2-[4-(2-bromo-4,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-butan-2-ylacetamide Traditional Name: 2-[4-(2-bromo-4,5-dimethoxy-phenyl)sulfonylpiperazino]-N-sec-butyl-acetamide Formula: C18H28BrN3O5S MolecularWeight: 478.40102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)OC)OC)Br

Isomeric SMILES

CCC(C)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)OC)OC)Br

InChI

InChI=1S/C18H28BrN3O5S/c1-5-13(2)20-18(23)12-21-6-8-22(9-7-21)28(24,25)17-11-16(27-4)15(26-3)10-14(17)19/h10-11,13H,5-9,12H2,1-4H3,(H,20,23)