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

Systemtic Name: 3-cyanopropyl 4-chloranyl-3-[(4-methoxyphenyl)-(phenylmethyl)sulfamoyl]benzoate Openeye Name: 3-cyanopropyl 3-[benzyl-(4-methoxyphenyl)sulfamoyl]-4-chloro-benzoate CAS Name: 4-chloro-3-[(4-methoxyphenyl)-(phenylmethyl)sulfamoyl]benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-[benzyl-(4-methoxyphenyl)sulfamoyl]-4-chlorobenzoate Traditional Name: 3-[benzyl-(4-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=C(C=C1)N(CC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCCCC#N)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N(CC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)OCCCC#N)Cl

InChI

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