1-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonylpyrrolidine-2-carboxylic acid CAS Name: 1-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]sulfonyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]sulfonylproline Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)O)N=C1CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3C(=O)O)N=C1CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C21H23N5O4S/c1-25-17-9-8-15(31(29,30)26-10-2-3-18(26)21(27)28)12-16(17)24-19(25)11-13-4-6-14(7-5-13)20(22)23/h4-9,12,18H,2-3,10-11H2,1H3,(H3,22,23)(H,27,28)