ethyl 4-(2-chlorophenyl)-1-(4-sulfamoylphenyl)-6,7-dihydro-5H-pyrrolizin-4-ium-3-carboxylate

Systemtic Name: ethyl 4-(2-chlorophenyl)-1-(4-sulfamoylphenyl)-6,7-dihydro-5H-pyrrolizin-4-ium-3-carboxylate Openeye Name: ethyl 4-(2-chlorophenyl)-1-(4-sulfamoylphenyl)-6,7-dihydro-5H-pyrrolizin-4-ium-3-carboxylate CAS Name: 4-(2-chlorophenyl)-1-(4-sulfamoylphenyl)-6,7-dihydro-5H-pyrrolizin-4-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chlorophenyl)-1-(4-sulfamoylphenyl)-6,7-dihydro-5H-pyrrolizin-4-ium-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-1-(4-sulfamoylphenyl)-6,7-dihydro-5H-pyrrolizin-4-ium-3-carboxylic acid ethyl ester Formula: C22H22ClN2O4S+ MolecularWeight: 445.93908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2[N+]1(CCC2)C3=CC=CC=C3Cl)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CCOC(=O)C1=CC(=C2[N+]1(CCC2)C3=CC=CC=C3Cl)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C22H22ClN2O4S/c1-2-29-22(26)21-14-17(15-9-11-16(12-10-15)30(24,27)28)19-8-5-13-25(19,21)20-7-4-3-6-18(20)23/h3-4,6-7,9-12,14H,2,5,8,13H2,1H3,(H2,24,27,28)/q+1