2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-N-butan-2-yl-ethanamide

Systemtic Name: 2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-N-butan-2-yl-ethanamide Openeye Name: 2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-yl]-N-sec-butyl-acetamide CAS Name: 2-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazinyl]-N-butan-2-ylacetamide IUPAC Name: 2-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-N-butan-2-ylacetamide Traditional Name: 2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazino]-N-sec-butyl-acetamide Formula: C17H26BrN3O3S MolecularWeight: 432.37564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26BrN3O3S/c1-4-14(3)19-17(22)12-20-7-9-21(10-8-20)25(23,24)15-5-6-16(18)13(2)11-15/h5-6,11,14H,4,7-10,12H2,1-3H3,(H,19,22)