N-(3-imidazol-1-ylpropyl)-4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]benzamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]benzamide Openeye Name: N-(3-imidazol-1-ylpropyl)-4-[methyl-(4-methylsulfanylphenyl)sulfonyl-amino]benzamide CAS Name: N-[3-(1-imidazolyl)propyl]-4-[methyl-[4-(methylthio)phenyl]sulfonylamino]benzamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide Traditional Name: N-(3-imidazol-1-ylpropyl)-4-[methyl-[4-(methylthio)phenyl]sulfonyl-amino]benzamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S2/c1-24(30(27,28)20-10-8-19(29-2)9-11-20)18-6-4-17(5-7-18)21(26)23-12-3-14-25-15-13-22-16-25/h4-11,13,15-16H,3,12,14H2,1-2H3,(H,23,26)