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

Systemtic Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-propyl-benzimidazol-5-yl]-(phenylsulfonyl)amino]ethanoic acid Openeye Name: 2-[benzenesulfonyl-[2-[(4-carbamimidoylphenyl)methyl]-1-propyl-benzimidazol-5-yl]amino]acetic acid CAS Name: 2-[benzenesulfonyl-[2-[(4-carbamimidoylphenyl)methyl]-1-propyl-5-benzimidazolyl]amino]acetic acid IUPAC Name: 2-[benzenesulfonyl-[2-[(4-carbamimidoylphenyl)methyl]-1-propylbenzimidazol-5-yl]amino]acetic acid Traditional Name: 2-[[2-(4-amidinobenzyl)-1-propyl-benzimidazol-5-yl]-besyl-amino]acetic acid Formula: C26H27N5O4S MolecularWeight: 505.58868

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC=C3)N=C1CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC=C3)N=C1CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H27N5O4S/c1-2-14-30-23-13-12-20(31(17-25(32)33)36(34,35)21-6-4-3-5-7-21)16-22(23)29-24(30)15-18-8-10-19(11-9-18)26(27)28/h3-13,16H,2,14-15,17H2,1H3,(H3,27,28)(H,32,33)