(3-methylquinoxalin-2-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butyric acid (3-methylquinoxalin-2-yl)methyl ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)CCCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)CCCNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H23N3O6S/c1-15-19(25-18-6-3-2-5-17(18)24-15)14-31-22(26)7-4-10-23-32(27,28)16-8-9-20-21(13-16)30-12-11-29-20/h2-3,5-6,8-9,13,23H,4,7,10-12,14H2,1H3