3-cyanopropyl 4-chloranyl-3-[(2-methoxyphenyl)-(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: 3-cyanopropyl 4-chloranyl-3-[(2-methoxyphenyl)-(phenylmethyl)sulfamoyl]benzoate Openeye Name: 3-cyanopropyl 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-4-chloro-benzoate CAS Name: 4-chloro-3-[(2-methoxyphenyl)-(phenylmethyl)sulfamoyl]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-4-chlorobenzoate Traditional Name: 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-4-chloro-benzoic acid 3-cyanopropyl ester Formula: C25H23ClN2O5S MolecularWeight: 498.97852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCCCC#N)Cl

Isomeric SMILES

COC1=CC=CC=C1N(CC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCCCC#N)Cl

InChI

InChI=1S/C25H23ClN2O5S/c1-32-23-12-6-5-11-22(23)28(18-19-9-3-2-4-10-19)34(30,31)24-17-20(13-14-21(24)26)25(29)33-16-8-7-15-27/h2-6,9-14,17H,7-8,16,18H2,1H3