naphthalen-1-ylmethyl 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: naphthalen-1-ylmethyl 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: 1-naphthylmethyl 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid 1-naphthylmethyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

InChI

InChI=1S/C21H18N2O4S/c22-13-4-14-23-28(25,26)19-11-9-17(10-12-19)21(24)27-15-18-7-3-6-16-5-1-2-8-20(16)18/h1-3,5-12,23H,4,14-15H2