ethyl 2-[butylsulfonyl-[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]amino]ethanoate

Systemtic Name: ethyl 2-[butylsulfonyl-[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]amino]ethanoate Openeye Name: ethyl 2-[butylsulfonyl-[2-[(4-cyanoanilino)methyl]-1-methyl-benzimidazol-5-yl]amino]acetate CAS Name: 2-[butylsulfonyl-[2-[(4-cyanoanilino)methyl]-1-methyl-5-benzimidazolyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[butylsulfonyl-[2-[(4-cyanoanilino)methyl]-1-methylbenzimidazol-5-yl]amino]acetate Traditional Name: 2-[butylsulfonyl-[2-[(4-cyanoanilino)methyl]-1-methyl-benzimidazol-5-yl]amino]acetic acid ethyl ester Formula: C24H29N5O4S MolecularWeight: 483.58316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N(CC(=O)OCC)C1=CC2=C(C=C1)N(C(=N2)CNC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCCCS(=O)(=O)N(CC(=O)OCC)C1=CC2=C(C=C1)N(C(=N2)CNC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C24H29N5O4S/c1-4-6-13-34(31,32)29(17-24(30)33-5-2)20-11-12-22-21(14-20)27-23(28(22)3)16-26-19-9-7-18(15-25)8-10-19/h7-12,14,26H,4-6,13,16-17H2,1-3H3