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

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

Isomeric SMILES

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

InChI

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