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

Systemtic Name: (1-methylimidazol-2-yl)methyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (1-methylimidazol-2-yl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (1-methyl-2-imidazolyl)methyl ester IUPAC Name: (1-methylimidazol-2-yl)methyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (1-methylimidazol-2-yl)methyl ester Formula: C18H22ClN3O4S MolecularWeight: 411.90298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN1C=CN=C1COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H22ClN3O4S/c1-21-11-8-20-17(21)13-26-18(23)14-6-7-15(19)16(12-14)27(24,25)22-9-4-2-3-5-10-22/h6-8,11-12H,2-5,9-10,13H2,1H3