methyl 4-chloranyl-2-[3-cyanopropyl-(3,4-dimethoxyphenyl)sulfonyl-amino]benzoate

Systemtic Name: methyl 4-chloranyl-2-[3-cyanopropyl-(3,4-dimethoxyphenyl)sulfonyl-amino]benzoate Openeye Name: methyl 4-chloro-2-[3-cyanopropyl-(3,4-dimethoxyphenyl)sulfonyl-amino]benzoate CAS Name: 4-chloro-2-[3-cyanopropyl-(3,4-dimethoxyphenyl)sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[3-cyanopropyl-(3,4-dimethoxyphenyl)sulfonylamino]benzoate Traditional Name: 4-chloro-2-[3-cyanopropyl-(3,4-dimethoxyphenyl)sulfonyl-amino]benzoic acid methyl ester Formula: C20H21ClN2O6S MolecularWeight: 452.90854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CCCC#N)C2=C(C=CC(=C2)Cl)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CCCC#N)C2=C(C=CC(=C2)Cl)C(=O)OC)OC

InChI

InChI=1S/C20H21ClN2O6S/c1-27-18-9-7-15(13-19(18)28-2)30(25,26)23(11-5-4-10-22)17-12-14(21)6-8-16(17)20(24)29-3/h6-9,12-13H,4-5,11H2,1-3H3