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

Systemtic Name: ethyl 3-[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-phenyl-amino]propanoate Openeye Name: ethyl 3-(N-[2-[(4-cyanoanilino)methyl]-1-methyl-benzimidazol-5-yl]sulfonylanilino)propanoate CAS Name: 3-[N-[[2-[(4-cyanoanilino)methyl]-1-methyl-5-benzimidazolyl]sulfonyl]anilino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(N-[2-[(4-cyanoanilino)methyl]-1-methylbenzimidazol-5-yl]sulfonylanilino)propanoate Traditional Name: 3-(N-[2-[(4-cyanoanilino)methyl]-1-methyl-benzimidazol-5-yl]sulfonylanilino)propionic acid ethyl ester Formula: C27H27N5O4S MolecularWeight: 517.59938

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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)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)C

InChI

InChI=1S/C27H27N5O4S/c1-3-36-27(33)15-16-32(22-7-5-4-6-8-22)37(34,35)23-13-14-25-24(17-23)30-26(31(25)2)19-29-21-11-9-20(18-28)10-12-21/h4-14,17,29H,3,15-16,19H2,1-2H3