N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(4-methylsulfonylpiperazin-1-yl)benzamide

Systemtic Name: N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(4-methylsulfonylpiperazin-1-yl)benzamide Openeye Name: N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(4-methylsulfonylpiperazin-1-yl)benzamide CAS Name: N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(4-methylsulfonyl-1-piperazinyl)benzamide IUPAC Name: N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(4-methylsulfonylpiperazin-1-yl)benzamide Traditional Name: N-[4-(2-imidazolin-2-ylamino)benzyl]-4-(4-mesylpiperazino)benzamide Formula: C22H28N6O3S MolecularWeight: 456.56112

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)NC4=NCCN4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)NC4=NCCN4

InChI

InChI=1S/C22H28N6O3S/c1-32(30,31)28-14-12-27(13-15-28)20-8-4-18(5-9-20)21(29)25-16-17-2-6-19(7-3-17)26-22-23-10-11-24-22/h2-9H,10-16H2,1H3,(H,25,29)(H2,23,24,26)