[2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(2,6-diisopropylanilino)-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-(2,6-diisopropylanilino)-2-keto-ethyl] ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C25H32N2O5S/c1-17(2)21-11-8-12-22(18(3)4)24(21)26-23(28)16-32-25(29)19-9-7-10-20(15-19)33(30,31)27-13-5-6-14-27/h7-12,15,17-18H,5-6,13-14,16H2,1-4H3,(H,26,28)