[2-[[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate

Systemtic Name: [2-[[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: [2-[[2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolecarboxylic acid [2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carboxylic acid [2-keto-2-[[2-keto-2-(2-methoxy-5-methyl-anilino)ethyl]amino]ethyl] ester Formula: C22H28N4O7S MolecularWeight: 492.54532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)COC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)COC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H28N4O7S/c1-15-6-7-19(32-3)17(10-15)24-20(27)12-23-21(28)14-33-22(29)18-11-16(13-25(18)2)34(30,31)26-8-4-5-9-26/h6-7,10-11,13H,4-5,8-9,12,14H2,1-3H3,(H,23,28)(H,24,27)