4-[2-[(6-methylpyridin-2-yl)sulfonylcarbamoyl]-8-[[4-(4-phenylbutoxy)phenyl]carbonylamino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid

Systemtic Name: 4-[2-[(6-methylpyridin-2-yl)sulfonylcarbamoyl]-8-[[4-(4-phenylbutoxy)phenyl]carbonylamino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid Openeye Name: 4-[2-[(6-methyl-2-pyridyl)sulfonylcarbamoyl]-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid CAS Name: 4-[2-[[(6-methyl-2-pyridinyl)sulfonylamino]-oxomethyl]-8-[[oxo-[4-(4-phenylbutoxy)phenyl]methyl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid IUPAC Name: 4-[2-[(6-methylpyridin-2-yl)sulfonylcarbamoyl]-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid Traditional Name: 4-[2-[(6-methyl-2-pyridyl)sulfonylcarbamoyl]-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]butyric acid Formula: C36H38N4O8S MolecularWeight: 686.77392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)S(=O)(=O)NC(=O)C2CN(C3=C(O2)C(=CC=C3)NC(=O)C4=CC=C(C=C4)OCCCCC5=CC=CC=C5)CCCC(=O)O

Isomeric SMILES

CC1=NC(=CC=C1)S(=O)(=O)NC(=O)C2CN(C3=C(O2)C(=CC=C3)NC(=O)C4=CC=C(C=C4)OCCCCC5=CC=CC=C5)CCCC(=O)O

InChI

InChI=1S/C36H38N4O8S/c1-25-10-7-16-32(37-25)49(45,46)39-36(44)31-24-40(22-9-17-33(41)42)30-15-8-14-29(34(30)48-31)38-35(43)27-18-20-28(21-19-27)47-23-6-5-13-26-11-3-2-4-12-26/h2-4,7-8,10-12,14-16,18-21,31H,5-6,9,13,17,22-24H2,1H3,(H,38,43)(H,39,44)(H,41,42)