5-bromanyl-2-[[4-(3-methyl-3-phenyl-piperidin-1-yl)sulfonylphenyl]carbonylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[4-(3-methyl-3-phenyl-piperidin-1-yl)sulfonylphenyl]carbonylamino]benzoic acid Openeye Name: 5-bromo-2-[[4-[(3-methyl-3-phenyl-1-piperidyl)sulfonyl]benzoyl]amino]benzoic acid CAS Name: 5-bromo-2-[[[4-[(3-methyl-3-phenyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[4-(3-methyl-3-phenylpiperidin-1-yl)sulfonylbenzoyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[4-(3-methyl-3-phenyl-piperidino)sulfonylbenzoyl]amino]benzoic acid Formula: C26H25BrN2O5S MolecularWeight: 557.4561

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1(CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C26H25BrN2O5S/c1-26(19-6-3-2-4-7-19)14-5-15-29(17-26)35(33,34)21-11-8-18(9-12-21)24(30)28-23-13-10-20(27)16-22(23)25(31)32/h2-4,6-13,16H,5,14-15,17H2,1H3,(H,28,30)(H,31,32)