[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(4-ethoxyanilino)-2-oxo-ethyl] 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-methyl-5-(1-pyrrolidinylsulfonyl)benzoic acid [2-(4-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyanilino)-2-oxoethyl] 2-methyl-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-pyrrolidinosulfonyl-benzoic acid [2-keto-2-(p-phenetidino)ethyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C22H26N2O6S/c1-3-29-18-9-7-17(8-10-18)23-21(25)15-30-22(26)20-14-19(11-6-16(20)2)31(27,28)24-12-4-5-13-24/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,23,25)