[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 5-(dimethylsulfamoyl)-2-methyl-benzoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 5-(dimethylsulfamoyl)-2-methyl-benzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 5-(dimethylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-methylbenzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 5-(dimethylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-methyl-benzoic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C16H19N3O5S/c1-10-5-6-12(25(22,23)19(3)4)7-13(10)16(21)24-9-15(20)14(8-17)11(2)18/h5-7,14,18H,9H2,1-4H3/t14-/m1/s1