methyl 2-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzoate

Systemtic Name: methyl 2-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzoate Openeye Name: methyl 2-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzoate CAS Name: 2-[[4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzoate Traditional Name: 2-[[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzoic acid methyl ester Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C18H24N4O4S/c1-20-11-8-19-17(20)14-21-9-5-10-22(13-12-21)27(24,25)16-7-4-3-6-15(16)18(23)26-2/h3-4,6-8,11H,5,9-10,12-14H2,1-2H3