5-bromanyl-N-(1-cyclopropylpiperidin-1-ium-4-yl)-2-ethoxy-benzenesulfonamide

Systemtic Name: 5-bromanyl-N-(1-cyclopropylpiperidin-1-ium-4-yl)-2-ethoxy-benzenesulfonamide Openeye Name: 5-bromo-N-(1-cyclopropylpiperidin-1-ium-4-yl)-2-ethoxy-benzenesulfonamide CAS Name: 5-bromo-N-(1-cyclopropyl-4-piperidin-1-iumyl)-2-ethoxybenzenesulfonamide IUPAC Name: 5-bromo-N-(1-cyclopropylpiperidin-1-ium-4-yl)-2-ethoxybenzenesulfonamide Traditional Name: 5-bromo-N-(1-cyclopropylpiperidin-1-ium-4-yl)-2-ethoxy-benzenesulfonamide Formula: C16H24BrN2O3S+ MolecularWeight: 404.34236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2CC[NH+](CC2)C3CC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)NC2CC[NH+](CC2)C3CC3

InChI

InChI=1S/C16H23BrN2O3S/c1-2-22-15-6-3-12(17)11-16(15)23(20,21)18-13-7-9-19(10-8-13)14-4-5-14/h3,6,11,13-14,18H,2,4-5,7-10H2,1H3/p+1