4-[4-[3-(3-bromophenyl)propoxy]phenyl]sulfonyl-1-(2-methoxyethyl)piperidine-4-carboxylic acid

Systemtic Name: 4-[4-[3-(3-bromophenyl)propoxy]phenyl]sulfonyl-1-(2-methoxyethyl)piperidine-4-carboxylic acid Openeye Name: 4-[4-[3-(3-bromophenyl)propoxy]phenyl]sulfonyl-1-(2-methoxyethyl)piperidine-4-carboxylic acid CAS Name: 4-[4-[3-(3-bromophenyl)propoxy]phenyl]sulfonyl-1-(2-methoxyethyl)-4-piperidinecarboxylic acid IUPAC Name: 4-[4-[3-(3-bromophenyl)propoxy]phenyl]sulfonyl-1-(2-methoxyethyl)piperidine-4-carboxylic acid Traditional Name: 4-[4-[3-(3-bromophenyl)propoxy]phenyl]sulfonyl-1-(2-methoxyethyl)isonipecotic acid Formula: C24H30BrNO6S MolecularWeight: 540.4671

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCCCC3=CC(=CC=C3)Br

Isomeric SMILES

COCCN1CCC(CC1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OCCCC3=CC(=CC=C3)Br

InChI

InChI=1S/C24H30BrNO6S/c1-31-17-15-26-13-11-24(12-14-26,23(27)28)33(29,30)22-9-7-21(8-10-22)32-16-3-5-19-4-2-6-20(25)18-19/h2,4,6-10,18H,3,5,11-17H2,1H3,(H,27,28)