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

Systemtic Name: 4-[8-[(E)-2-[4-(4-phenylbutoxy)phenyl]ethenyl]-2-(phenylsulfonylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid Openeye Name: 4-[2-(benzenesulfonylcarbamoyl)-8-[(E)-2-[4-(4-phenylbutoxy)phenyl]vinyl]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid CAS Name: 4-[2-[benzenesulfonamido(oxo)methyl]-8-[(E)-2-[4-(4-phenylbutoxy)phenyl]ethenyl]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid IUPAC Name: 4-[2-(benzenesulfonylcarbamoyl)-8-[(E)-2-[4-(4-phenylbutoxy)phenyl]ethenyl]-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid Traditional Name: 4-[2-(besylcarbamoyl)-8-[(E)-2-[4-(4-phenylbutoxy)phenyl]vinyl]-2,3-dihydro-1,4-benzoxazin-4-yl]butyric acid Formula: C37H38N2O7S MolecularWeight: 654.77182

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(C=CC=C2N1CCCC(=O)O)C=CC3=CC=C(C=C3)OCCCCC4=CC=CC=C4)C(=O)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1C(OC2=C(C=CC=C2N1CCCC(=O)O)/C=C/C3=CC=C(C=C3)OCCCCC4=CC=CC=C4)C(=O)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C37H38N2O7S/c40-35(41)18-10-25-39-27-34(37(42)38-47(43,44)32-15-5-2-6-16-32)46-36-30(14-9-17-33(36)39)22-19-29-20-23-31(24-21-29)45-26-8-7-13-28-11-3-1-4-12-28/h1-6,9,11-12,14-17,19-24,34H,7-8,10,13,18,25-27H2,(H,38,42)(H,40,41)/b22-19+