[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C23H26ClNO5S MolecularWeight: 463.97424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClNO5S/c1-23(2,3)17-8-6-16(7-9-17)21(26)15-30-22(27)19-14-18(10-11-20(19)24)31(28,29)25-12-4-5-13-25/h6-11,14H,4-5,12-13,15H2,1-3H3