1-(4-bromanyl-3-propoxy-phenyl)sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(4-bromanyl-3-propoxy-phenyl)sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(4-bromo-3-propoxy-phenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-(4-bromo-3-propoxyphenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(4-bromo-3-propoxyphenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(4-bromo-3-propoxy-phenyl)sulfonylisonipecotic acid Formula: C15H20BrNO5S MolecularWeight: 406.292

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)O)Br

Isomeric SMILES

CCCOC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)O)Br

InChI

InChI=1S/C15H20BrNO5S/c1-2-9-22-14-10-12(3-4-13(14)16)23(20,21)17-7-5-11(6-8-17)15(18)19/h3-4,10-11H,2,5-9H2,1H3,(H,18,19)