methyl 3-(1,4-diazepan-1-ylsulfonylmethyl)benzoate

Systemtic Name: methyl 3-(1,4-diazepan-1-ylsulfonylmethyl)benzoate Openeye Name: methyl 3-(1,4-diazepan-1-ylsulfonylmethyl)benzoate CAS Name: 3-(1,4-diazepan-1-ylsulfonylmethyl)benzoic acid methyl ester IUPAC Name: methyl 3-(1,4-diazepan-1-ylsulfonylmethyl)benzoate Traditional Name: 3-(1,4-diazepan-1-ylsulfonylmethyl)benzoic acid methyl ester Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CS(=O)(=O)N2CCCNCC2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CS(=O)(=O)N2CCCNCC2

InChI

InChI=1S/C14H20N2O4S/c1-20-14(17)13-5-2-4-12(10-13)11-21(18,19)16-8-3-6-15-7-9-16/h2,4-5,10,15H,3,6-9,11H2,1H3