2-[4-(3-bromanyl-4-methoxy-phenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-(3-bromanyl-4-methoxy-phenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-(3-bromo-4-methoxy-phenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-(3-bromo-4-methoxyphenyl)sulfonyl-1-piperazinyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-(3-bromo-4-methoxy-phenyl)sulfonylpiperazino]-N-cyclopropyl-acetamide Formula: C16H22BrN3O4S MolecularWeight: 432.33258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3CC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC3CC3)Br

InChI

InChI=1S/C16H22BrN3O4S/c1-24-15-5-4-13(10-14(15)17)25(22,23)20-8-6-19(7-9-20)11-16(21)18-12-2-3-12/h4-5,10,12H,2-3,6-9,11H2,1H3,(H,18,21)