[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-morpholin-4-ylsulfonylbenzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 4-morpholinosulfonylbenzoate CAS Name: 4-(4-morpholinylsulfonyl)benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-morpholinosulfonylbenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H23N3O6S/c20-14-19(7-1-2-8-19)21-17(23)13-28-18(24)15-3-5-16(6-4-15)29(25,26)22-9-11-27-12-10-22/h3-6H,1-2,7-13H2,(H,21,23)