ethyl 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-phenyl-amino]propanoate

Systemtic Name: ethyl 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-phenyl-amino]propanoate Openeye Name: ethyl 3-(N-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]sulfonylanilino)propanoate CAS Name: 3-[N-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]sulfonyl]anilino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(N-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]sulfonylanilino)propanoate Traditional Name: 3-(N-[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]sulfonylanilino)propionic acid ethyl ester Formula: C27H30N6O4S MolecularWeight: 534.6299

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C27H30N6O4S/c1-3-37-26(34)15-16-33(21-7-5-4-6-8-21)38(35,36)22-13-14-24-23(17-22)31-25(32(24)2)18-30-20-11-9-19(10-12-20)27(28)29/h4-14,17,30H,3,15-16,18H2,1-2H3,(H3,28,29)