(3-methylquinoxalin-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H25N3O4S/c1-17-22(25-21-9-5-4-8-20(21)24-17)16-30-23(27)18-10-12-19(13-11-18)31(28,29)26-14-6-2-3-7-15-26/h4-5,8-13H,2-3,6-7,14-16H2,1H3