[2-[(2-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[(2-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(2-tert-butylanilino)-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(2-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-tert-butylanilino)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-(2-tert-butylanilino)-2-keto-ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C23H28N2O5S/c1-23(2,3)19-11-4-5-12-20(19)24-21(26)16-30-22(27)17-9-8-10-18(15-17)31(28,29)25-13-6-7-14-25/h4-5,8-12,15H,6-7,13-14,16H2,1-3H3,(H,24,26)