methyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: methyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid methyl ester Formula: C14H18ClNO4S MolecularWeight: 331.81502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C14H18ClNO4S/c1-20-14(17)11-6-7-12(15)13(10-11)21(18,19)16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3