N-(3-imidazol-1-ylpropyl)-2-[(4-methylphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2-[(4-methylphenyl)-(4-methylsulfanylphenyl)sulfonyl-amino]ethanamide Openeye Name: N-(3-imidazol-1-ylpropyl)-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonyl-anilino)acetamide CAS Name: N-[3-(1-imidazolyl)propyl]-2-(4-methyl-N-[4-(methylthio)phenyl]sulfonylanilino)acetamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide Traditional Name: N-(3-imidazol-1-ylpropyl)-2-(4-methyl-N-[4-(methylthio)phenyl]sulfonyl-anilino)acetamide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(=O)NCCCN2C=CN=C2)S(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(=O)NCCCN2C=CN=C2)S(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C22H26N4O3S2/c1-18-4-6-19(7-5-18)26(31(28,29)21-10-8-20(30-2)9-11-21)16-22(27)24-12-3-14-25-15-13-23-17-25/h4-11,13,15,17H,3,12,14,16H2,1-2H3,(H,24,27)