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

Systemtic Name: methyl 2-[[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzoate Openeye Name: methyl 2-[[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzoate CAS Name: 2-[[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzoate Traditional Name: 2-[[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzoic acid methyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C19H23N3O4S/c1-26-19(23)17-8-2-3-9-18(17)27(24,25)22-12-6-11-21(13-14-22)15-16-7-4-5-10-20-16/h2-5,7-10H,6,11-15H2,1H3