5-bromanyl-2-[[4-[4-(phenylmethyl)piperidin-1-yl]sulfonylphenyl]carbonylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[4-[4-(phenylmethyl)piperidin-1-yl]sulfonylphenyl]carbonylamino]benzoic acid Openeye Name: 2-[[4-[(4-benzyl-1-piperidyl)sulfonyl]benzoyl]amino]-5-bromo-benzoic acid CAS Name: 5-bromo-2-[[oxo-[4-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]phenyl]methyl]amino]benzoic acid IUPAC Name: 2-[[4-(4-benzylpiperidin-1-yl)sulfonylbenzoyl]amino]-5-bromobenzoic acid Traditional Name: 2-[[4-(4-benzylpiperidino)sulfonylbenzoyl]amino]-5-bromo-benzoic acid Formula: C26H25BrN2O5S MolecularWeight: 557.4561

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C26H25BrN2O5S/c27-21-8-11-24(23(17-21)26(31)32)28-25(30)20-6-9-22(10-7-20)35(33,34)29-14-12-19(13-15-29)16-18-4-2-1-3-5-18/h1-11,17,19H,12-16H2,(H,28,30)(H,31,32)