2-[butylsulfonyl-[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]amino]ethanoic acid

Systemtic Name: 2-[butylsulfonyl-[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]amino]ethanoic acid Openeye Name: 2-[butylsulfonyl-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]amino]acetic acid CAS Name: 2-[butylsulfonyl-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]amino]acetic acid IUPAC Name: 2-[butylsulfonyl-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]amino]acetic acid Traditional Name: 2-[[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]-butylsulfonyl-amino]acetic acid Formula: C22H28N6O4S MolecularWeight: 472.56052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N(CC(=O)O)C1=CC2=C(C=C1)N(C(=N2)CNC3=CC=C(C=C3)C(=N)N)C

Isomeric SMILES

CCCCS(=O)(=O)N(CC(=O)O)C1=CC2=C(C=C1)N(C(=N2)CNC3=CC=C(C=C3)C(=N)N)C

InChI

InChI=1S/C22H28N6O4S/c1-3-4-11-33(31,32)28(14-21(29)30)17-9-10-19-18(12-17)26-20(27(19)2)13-25-16-7-5-15(6-8-16)22(23)24/h5-10,12,25H,3-4,11,13-14H2,1-2H3,(H3,23,24)(H,29,30)