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

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O5S/c1-17-21(26-20-10-6-5-9-19(20)25-17)16-32-24(28)18-11-12-22(31-2)23(15-18)33(29,30)27-13-7-3-4-8-14-27/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3