5-bromanyl-2-methoxy-4-[2-[[(2-methyl-6-piperidin-1-yl-phenyl)-(4-methylsulfanylphenyl)methyl]amino]-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 5-bromanyl-2-methoxy-4-[2-[[(2-methyl-6-piperidin-1-yl-phenyl)-(4-methylsulfanylphenyl)methyl]amino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 5-bromo-2-methoxy-4-[2-[[[2-methyl-6-(1-piperidyl)phenyl]-(4-methylsulfanylphenyl)methyl]amino]-2-oxo-ethyl]benzoic acid CAS Name: 5-bromo-2-methoxy-4-[2-[[[2-methyl-6-(1-piperidinyl)phenyl]-[4-(methylthio)phenyl]methyl]amino]-2-oxoethyl]benzoic acid IUPAC Name: 5-bromo-2-methoxy-4-[2-[[(2-methyl-6-piperidin-1-ylphenyl)-(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]benzoic acid Traditional Name: 5-bromo-4-[2-keto-2-[[(2-methyl-6-piperidino-phenyl)-[4-(methylthio)phenyl]methyl]amino]ethyl]-2-methoxy-benzoic acid Formula: C30H33BrN2O4S MolecularWeight: 597.56302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCCCC2)C(C3=CC=C(C=C3)SC)NC(=O)CC4=C(C=C(C(=C4)OC)C(=O)O)Br

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCCCC2)C(C3=CC=C(C=C3)SC)NC(=O)CC4=C(C=C(C(=C4)OC)C(=O)O)Br

InChI

InChI=1S/C30H33BrN2O4S/c1-19-8-7-9-25(33-14-5-4-6-15-33)28(19)29(20-10-12-22(38-3)13-11-20)32-27(34)17-21-16-26(37-2)23(30(35)36)18-24(21)31/h7-13,16,18,29H,4-6,14-15,17H2,1-3H3,(H,32,34)(H,35,36)