[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C18H26N2O5S MolecularWeight: 382.47444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C18H26N2O5S/c1-3-7-14(2)19-17(21)13-25-18(22)15-8-6-9-16(12-15)26(23,24)20-10-4-5-11-20/h6,8-9,12,14H,3-5,7,10-11,13H2,1-2H3,(H,19,21)