ethyl 3-[(2,5-dimethyl-4-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)sulfonylamino]benzoate

Systemtic Name: ethyl 3-[(2,5-dimethyl-4-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)sulfonylamino]benzoate Openeye Name: ethyl 3-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]benzoate CAS Name: 3-[[2,5-dimethyl-4-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]sulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]benzoate Traditional Name: 3-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]benzoic acid ethyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=C(NC(=C2C(=O)N3CCCC3)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NS(=O)(=O)C2=C(NC(=C2C(=O)N3CCCC3)C)C

InChI

InChI=1S/C20H25N3O5S/c1-4-28-20(25)15-8-7-9-16(12-15)22-29(26,27)18-14(3)21-13(2)17(18)19(24)23-10-5-6-11-23/h7-9,12,21-22H,4-6,10-11H2,1-3H3