[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 4-(prop-2-enylsulfamoyl)benzoate

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 4-(prop-2-enylsulfamoyl)benzoate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 4-(allylsulfamoyl)benzoate CAS Name: 4-(prop-2-enylsulfamoyl)benzoic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 4-(prop-2-enylsulfamoyl)benzoate Traditional Name: 4-(allylsulfamoyl)benzoic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC=C

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC=C

InChI

InChI=1S/C18H21N3O5S/c1-3-10-20-27(24,25)15-8-4-13(5-9-15)17(23)26-11-16(22)21-18(2,12-19)14-6-7-14/h3-5,8-9,14,20H,1,6-7,10-11H2,2H3,(H,21,22)/t18-/m0/s1