ethyl 4-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-phenyl-amino]butanoate hydrochloride

Systemtic Name: ethyl 4-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-phenyl-amino]butanoate hydrochloride Openeye Name: ethyl 4-(N-[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-benzimidazol-5-yl]sulfonylanilino)butanoate hydrochloride CAS Name: 4-[N-[[2-[(4-carbamimidoylphenoxy)methyl]-1-methyl-5-benzimidazolyl]sulfonyl]anilino]butanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-(N-[2-[(4-carbamimidoylphenoxy)methyl]-1-methylbenzimidazol-5-yl]sulfonylanilino)butanoate hydrochloride Traditional Name: 4-(N-[2-[(4-amidinophenoxy)methyl]-1-methyl-benzimidazol-5-yl]sulfonylanilino)butyric acid ethyl ester hydrochloride Formula: C28H32ClN5O5S MolecularWeight: 586.10218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=N3)COC4=CC=C(C=C4)C(=N)N)C.Cl

Isomeric SMILES

CCOC(=O)CCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=N3)COC4=CC=C(C=C4)C(=N)N)C.Cl

InChI

InChI=1S/C28H31N5O5S.ClH/c1-3-37-27(34)10-7-17-33(21-8-5-4-6-9-21)39(35,36)23-15-16-25-24(18-23)31-26(32(25)2)19-38-22-13-11-20(12-14-22)28(29)30;/h4-6,8-9,11-16,18H,3,7,10,17,19H2,1-2H3,(H3,29,30);1H