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

Systemtic Name: methyl 4-[8-[[4-(4-phenylbutoxy)phenyl]carbonylamino]-2-(phenylsulfonylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate Openeye Name: methyl 4-[2-(benzenesulfonylcarbamoyl)-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate 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 methyl ester IUPAC Name: methyl 4-[2-(benzenesulfonylcarbamoyl)-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate Traditional Name: 4-[2-(besylcarbamoyl)-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]butyric acid methyl ester Formula: C37H39N3O8S MolecularWeight: 685.78586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1CC(OC2=C1C=CC=C2NC(=O)C3=CC=C(C=C3)OCCCCC4=CC=CC=C4)C(=O)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC(=O)CCCN1CC(OC2=C1C=CC=C2NC(=O)C3=CC=C(C=C3)OCCCCC4=CC=CC=C4)C(=O)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C37H39N3O8S/c1-46-34(41)19-11-24-40-26-33(37(43)39-49(44,45)30-15-6-3-7-16-30)48-35-31(17-10-18-32(35)40)38-36(42)28-20-22-29(23-21-28)47-25-9-8-14-27-12-4-2-5-13-27/h2-7,10,12-13,15-18,20-23,33H,8-9,11,14,19,24-26H2,1H3,(H,38,42)(H,39,43)