[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-methyl-benzoate

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-methyl-benzoate Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-methyl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-methylbenzoic acid [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 5-(dimethylsulfamoyl)-2-methylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-methyl-benzoic acid [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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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)NC(C)(C#N)C2CC2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)C(=O)OCC(=O)N[C@](C)(C#N)C2CC2

InChI

InChI=1S/C18H23N3O5S/c1-12-5-8-14(27(24,25)21(3)4)9-15(12)17(23)26-10-16(22)20-18(2,11-19)13-6-7-13/h5,8-9,13H,6-7,10H2,1-4H3,(H,20,22)/t18-/m1/s1