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

Systemtic Name: methyl 4-chloranyl-3-(1,4-diazepan-1-ylsulfonyl)benzoate Openeye Name: methyl 4-chloro-3-(1,4-diazepan-1-ylsulfonyl)benzoate CAS Name: 4-chloro-3-(1,4-diazepan-1-ylsulfonyl)benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-(1,4-diazepan-1-ylsulfonyl)benzoate Traditional Name: 4-chloro-3-(1,4-diazepan-1-ylsulfonyl)benzoic acid methyl ester Formula: C13H17ClN2O4S MolecularWeight: 332.80308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O4S/c1-20-13(17)10-3-4-11(14)12(9-10)21(18,19)16-7-2-5-15-6-8-16/h3-4,9,15H,2,5-8H2,1H3