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

Systemtic Name: ethyl 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-propyl-benzimidazol-5-yl]-(phenylsulfonyl)amino]ethanoate Openeye Name: ethyl 2-[benzenesulfonyl-[2-[(4-carbamimidoylphenyl)methyl]-1-propyl-benzimidazol-5-yl]amino]acetate CAS Name: 2-[benzenesulfonyl-[2-[(4-carbamimidoylphenyl)methyl]-1-propyl-5-benzimidazolyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[benzenesulfonyl-[2-[(4-carbamimidoylphenyl)methyl]-1-propylbenzimidazol-5-yl]amino]acetate Traditional Name: 2-[[2-(4-amidinobenzyl)-1-propyl-benzimidazol-5-yl]-besyl-amino]acetic acid ethyl ester Formula: C28H31N5O4S MolecularWeight: 533.64184

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H31N5O4S/c1-3-16-32-25-15-14-22(18-24(25)31-26(32)17-20-10-12-21(13-11-20)28(29)30)33(19-27(34)37-4-2)38(35,36)23-8-6-5-7-9-23/h5-15,18H,3-4,16-17,19H2,1-2H3,(H3,29,30)