[3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 5-(dimethylsulfamoyl)-2-methyl-benzoate

Systemtic Name: [3-[(2-cyanophenyl)amino]-3-oxidanylidene-propyl] 5-(dimethylsulfamoyl)-2-methyl-benzoate Openeye Name: [3-(2-cyanoanilino)-3-oxo-propyl] 5-(dimethylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-methylbenzoic acid [3-(2-cyanoanilino)-3-oxopropyl] ester IUPAC Name: [3-(2-cyanoanilino)-3-oxopropyl] 5-(dimethylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-methyl-benzoic acid [3-(2-cyanoanilino)-3-keto-propyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)C(=O)OCCC(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)C(=O)OCCC(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C20H21N3O5S/c1-14-8-9-16(29(26,27)23(2)3)12-17(14)20(25)28-11-10-19(24)22-18-7-5-4-6-15(18)13-21/h4-9,12H,10-11H2,1-3H3,(H,22,24)