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

Systemtic Name: N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[4-(2-imidazolin-2-ylamino)benzyl]-4-piperidinosulfonyl-benzamide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)NC4=NCCN4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)NC4=NCCN4

InChI

InChI=1S/C22H27N5O3S/c28-21(25-16-17-4-8-19(9-5-17)26-22-23-12-13-24-22)18-6-10-20(11-7-18)31(29,30)27-14-2-1-3-15-27/h4-11H,1-3,12-16H2,(H,25,28)(H2,23,24,26)