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

Systemtic Name: 4-[2-[(4-chloranylpyridin-3-yl)sulfonylcarbamoyl]-8-[[4-(4-phenylbutoxy)phenyl]carbonylamino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid Openeye Name: 4-[2-[(4-chloro-3-pyridyl)sulfonylcarbamoyl]-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid CAS Name: 4-[2-[[(4-chloro-3-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-[(4-chloropyridin-3-yl)sulfonylcarbamoyl]-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid Traditional Name: 4-[2-[(4-chloro-3-pyridyl)sulfonylcarbamoyl]-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]butyric acid Formula: C35H35ClN4O8S MolecularWeight: 707.1924

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1CCCC(=O)O)C=CC=C2NC(=O)C3=CC=C(C=C3)OCCCCC4=CC=CC=C4)C(=O)NS(=O)(=O)C5=C(C=CN=C5)Cl

Isomeric SMILES

C1C(OC2=C(N1CCCC(=O)O)C=CC=C2NC(=O)C3=CC=C(C=C3)OCCCCC4=CC=CC=C4)C(=O)NS(=O)(=O)C5=C(C=CN=C5)Cl

InChI

InChI=1S/C35H35ClN4O8S/c36-27-18-19-37-22-31(27)49(45,46)39-35(44)30-23-40(20-7-13-32(41)42)29-12-6-11-28(33(29)48-30)38-34(43)25-14-16-26(17-15-25)47-21-5-4-10-24-8-2-1-3-9-24/h1-3,6,8-9,11-12,14-19,22,30H,4-5,7,10,13,20-21,23H2,(H,38,43)(H,39,44)(H,41,42)