[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 3,5-ditert-butylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 3,5-ditert-butylbenzoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid [2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C27H36N2O5S MolecularWeight: 500.65014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C(C)(C)C

InChI

InChI=1S/C27H36N2O5S/c1-26(2,3)20-15-19(16-21(17-20)27(4,5)6)25(31)34-18-24(30)28-22-9-11-23(12-10-22)35(32,33)29-13-7-8-14-29/h9-12,15-17H,7-8,13-14,18H2,1-6H3,(H,28,30)