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

Systemtic Name: methyl 3-(azocan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: methyl 3-(azocan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azocanylsulfonyl)-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-(azocan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azocan-1-ylsulfonyl)-4-chloro-benzoic acid methyl ester Formula: C15H20ClNO4S MolecularWeight: 345.8416

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCCC2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCCCCC2

InChI

InChI=1S/C15H20ClNO4S/c1-21-15(18)12-7-8-13(16)14(11-12)22(19,20)17-9-5-3-2-4-6-10-17/h7-8,11H,2-6,9-10H2,1H3