2-[2-[4-(5-carbamimidoylpyridin-2-yl)phenyl]-1-(dimethylsulfamoyl)-2-methanoyl-pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[2-[4-(5-carbamimidoylpyridin-2-yl)phenyl]-1-(dimethylsulfamoyl)-2-methanoyl-pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[2-[4-(5-carbamimidoyl-2-pyridyl)phenyl]-1-(dimethylsulfamoyl)-2-formyl-pyrrolidin-3-yl]acetic acid CAS Name: 2-[2-[4-(5-carbamimidoyl-2-pyridinyl)phenyl]-1-(dimethylsulfamoyl)-2-formyl-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[2-[4-(5-carbamimidoylpyridin-2-yl)phenyl]-1-(dimethylsulfamoyl)-2-formylpyrrolidin-3-yl]acetic acid Traditional Name: 2-[2-[4-(5-amidino-2-pyridyl)phenyl]-1-(dimethylsulfamoyl)-2-formyl-pyrrolidin-3-yl]acetic acid Formula: C21H25N5O5S MolecularWeight: 459.5187

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CCC(C1(C=O)C2=CC=C(C=C2)C3=NC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

CN(C)S(=O)(=O)N1CCC(C1(C=O)C2=CC=C(C=C2)C3=NC=C(C=C3)C(=N)N)CC(=O)O

InChI

InChI=1S/C21H25N5O5S/c1-25(2)32(30,31)26-10-9-17(11-19(28)29)21(26,13-27)16-6-3-14(4-7-16)18-8-5-15(12-24-18)20(22)23/h3-8,12-13,17H,9-11H2,1-2H3,(H3,22,23)(H,28,29)