methyl 2-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzoate

Systemtic Name: methyl 2-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzoate Openeye Name: methyl 2-[[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzoate CAS Name: 2-[[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzoate Traditional Name: 2-[[4-(3-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=CN=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCCN(CC2)CC3=CN=CC=C3

InChI

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