N-[2-[(4-cyanophenyl)-[(3-methylimidazol-4-yl)methyl]amino]ethyl]-1-methyl-N-prop-2-enyl-imidazole-4-sulfonamide

Systemtic Name: N-[2-[(4-cyanophenyl)-[(3-methylimidazol-4-yl)methyl]amino]ethyl]-1-methyl-N-prop-2-enyl-imidazole-4-sulfonamide Openeye Name: N-allyl-N-[2-[4-cyano-N-[(3-methylimidazol-4-yl)methyl]anilino]ethyl]-1-methyl-imidazole-4-sulfonamide CAS Name: N-[2-[4-cyano-N-[(3-methyl-4-imidazolyl)methyl]anilino]ethyl]-1-methyl-N-prop-2-enyl-4-imidazolesulfonamide IUPAC Name: N-[2-[4-cyano-N-[(3-methylimidazol-4-yl)methyl]anilino]ethyl]-1-methyl-N-prop-2-enylimidazole-4-sulfonamide Traditional Name: N-allyl-N-[2-[4-cyano-N-[(3-methylimidazol-4-yl)methyl]anilino]ethyl]-1-methyl-imidazole-4-sulfonamide Formula: C21H25N7O2S MolecularWeight: 439.5339

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)S(=O)(=O)N(CCN(CC2=CN=CN2C)C3=CC=C(C=C3)C#N)CC=C

Isomeric SMILES

CN1C=C(N=C1)S(=O)(=O)N(CCN(CC2=CN=CN2C)C3=CC=C(C=C3)C#N)CC=C

InChI

InChI=1S/C21H25N7O2S/c1-4-9-28(31(29,30)21-15-25(2)17-24-21)11-10-27(14-20-13-23-16-26(20)3)19-7-5-18(12-22)6-8-19/h4-8,13,15-17H,1,9-11,14H2,2-3H3