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

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C23H24ClN3O4S MolecularWeight: 473.97236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN3O4S/c1-16-21(26-20-9-5-4-8-19(20)25-16)15-31-23(28)17-10-11-18(24)22(14-17)32(29,30)27-12-6-2-3-7-13-27/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3