[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 3-(dimethylsulfamoyl)-4-methoxy-benzoate

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 3-(dimethylsulfamoyl)-4-methoxy-benzoate Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 3-(dimethylsulfamoyl)-4-methoxy-benzoate CAS Name: 3-(dimethylsulfamoyl)-4-methoxybenzoic acid [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate Traditional Name: 3-(dimethylsulfamoyl)-4-methoxy-benzoic acid [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O6S/c1-18(11-19,13-6-7-13)20-16(22)10-27-17(23)12-5-8-14(26-4)15(9-12)28(24,25)21(2)3/h5,8-9,13H,6-7,10H2,1-4H3,(H,20,22)/t18-/m0/s1