methyl 2-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzoate

Systemtic Name: methyl 2-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzoate Openeye Name: methyl 2-[[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzoate CAS Name: 2-[[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzoate Traditional Name: 2-[[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzoic acid methyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C20H25N3O4S/c1-16-7-5-8-17(21-16)15-22-11-6-12-23(14-13-22)28(25,26)19-10-4-3-9-18(19)20(24)27-2/h3-5,7-10H,6,11-15H2,1-2H3