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

Systemtic Name: methyl 3-(1,4-diazepan-1-ylsulfonyl)benzoate Openeye Name: methyl 3-(1,4-diazepan-1-ylsulfonyl)benzoate CAS Name: 3-(1,4-diazepan-1-ylsulfonyl)benzoic acid methyl ester IUPAC Name: methyl 3-(1,4-diazepan-1-ylsulfonyl)benzoate Traditional Name: 3-(1,4-diazepan-1-ylsulfonyl)benzoic acid methyl ester Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4S/c1-19-13(16)11-4-2-5-12(10-11)20(17,18)15-8-3-6-14-7-9-15/h2,4-5,10,14H,3,6-9H2,1H3