ethyl 4-(3-carbamimidoylphenyl)-3-methyl-1-[[4-(2-sulfamoylphenyl)phenyl]methyl]pyrrolidine-3-carboxylate

Systemtic Name: ethyl 4-(3-carbamimidoylphenyl)-3-methyl-1-[[4-(2-sulfamoylphenyl)phenyl]methyl]pyrrolidine-3-carboxylate Openeye Name: ethyl 4-(3-carbamimidoylphenyl)-3-methyl-1-[[4-(2-sulfamoylphenyl)phenyl]methyl]pyrrolidine-3-carboxylate CAS Name: 4-(3-carbamimidoylphenyl)-3-methyl-1-[[4-(2-sulfamoylphenyl)phenyl]methyl]-3-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-carbamimidoylphenyl)-3-methyl-1-[[4-(2-sulfamoylphenyl)phenyl]methyl]pyrrolidine-3-carboxylate Traditional Name: 4-(3-amidinophenyl)-3-methyl-1-[4-(2-sulfamoylphenyl)benzyl]pyrrolidine-3-carboxylic acid ethyl ester Formula: C28H32N4O4S MolecularWeight: 520.64308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CN(CC1C2=CC=CC(=C2)C(=N)N)CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)N)C

Isomeric SMILES

CCOC(=O)C1(CN(CC1C2=CC=CC(=C2)C(=N)N)CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)N)C

InChI

InChI=1S/C28H32N4O4S/c1-3-36-27(33)28(2)18-32(17-24(28)21-7-6-8-22(15-21)26(29)30)16-19-11-13-20(14-12-19)23-9-4-5-10-25(23)37(31,34)35/h4-15,24H,3,16-18H2,1-2H3,(H3,29,30)(H2,31,34,35)