[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-chloranyl-5-[methyl(propan-2-yl)sulfamoyl]benzoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-chloranyl-5-[methyl(propan-2-yl)sulfamoyl]benzoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-chloro-5-[isopropyl(methyl)sulfamoyl]benzoate CAS Name: 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-chloro-5-[methyl(propan-2-yl)sulfamoyl]benzoate Traditional Name: 2-chloro-5-[isopropyl(methyl)sulfamoyl]benzoic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H20ClN3O5S MolecularWeight: 413.8758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O5S/c1-10(2)21(4)27(24,25)12-5-6-15(18)13(7-12)17(23)26-9-16(22)14(8-19)11(3)20/h5-7,10,14,20H,9H2,1-4H3/t14-/m1/s1