4-bromanyl-3-[4-(phenylcarbamoyl)piperidin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 4-bromanyl-3-[4-(phenylcarbamoyl)piperidin-1-yl]sulfonyl-benzoic acid Openeye Name: 4-bromo-3-[[4-(phenylcarbamoyl)-1-piperidyl]sulfonyl]benzoic acid CAS Name: 3-[[4-[anilino(oxo)methyl]-1-piperidinyl]sulfonyl]-4-bromobenzoic acid IUPAC Name: 4-bromo-3-[4-(phenylcarbamoyl)piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 4-bromo-3-[4-(phenylcarbamoyl)piperidino]sulfonyl-benzoic acid Formula: C19H19BrN2O5S MolecularWeight: 467.33356

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Br

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Br

InChI

InChI=1S/C19H19BrN2O5S/c20-16-7-6-14(19(24)25)12-17(16)28(26,27)22-10-8-13(9-11-22)18(23)21-15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H,21,23)(H,24,25)