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

Systemtic Name: 4-[8-[[4-(4-phenylbutoxy)phenyl]carbonylamino]-2-(phenylsulfonylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid Openeye Name: 4-[2-(benzenesulfonylcarbamoyl)-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid CAS Name: 4-[2-[benzenesulfonamido(oxo)methyl]-8-[[oxo-[4-(4-phenylbutoxy)phenyl]methyl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid IUPAC Name: 4-[2-(benzenesulfonylcarbamoyl)-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid Traditional Name: 4-[2-(besylcarbamoyl)-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]butyric acid Formula: C36H37N3O8S MolecularWeight: 671.75928

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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=CC=CC=C5

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=CC=CC=C5

InChI

InChI=1S/C36H37N3O8S/c40-33(41)18-10-23-39-25-32(36(43)38-48(44,45)29-14-5-2-6-15-29)47-34-30(16-9-17-31(34)39)37-35(42)27-19-21-28(22-20-27)46-24-8-7-13-26-11-3-1-4-12-26/h1-6,9,11-12,14-17,19-22,32H,7-8,10,13,18,23-25H2,(H,37,42)(H,38,43)(H,40,41)