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

Systemtic Name: methyl 4-chloranyl-2-[(4-chlorophenyl)sulfonyl-(3-cyanopropyl)amino]benzoate Openeye Name: methyl 4-chloro-2-[(4-chlorophenyl)sulfonyl-(3-cyanopropyl)amino]benzoate CAS Name: 4-chloro-2-[(4-chlorophenyl)sulfonyl-(3-cyanopropyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[(4-chlorophenyl)sulfonyl-(3-cyanopropyl)amino]benzoate Traditional Name: 4-chloro-2-[(4-chlorophenyl)sulfonyl-(3-cyanopropyl)amino]benzoic acid methyl ester Formula: C18H16Cl2N2O4S MolecularWeight: 427.30164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16Cl2N2O4S/c1-26-18(23)16-9-6-14(20)12-17(16)22(11-3-2-10-21)27(24,25)15-7-4-13(19)5-8-15/h4-9,12H,2-3,11H2,1H3