N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(phenylmethyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(phenylmethyl)sulfonyl-piperazine-1-carboxamide Openeye Name: 4-benzylsulfonyl-N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]piperazine-1-carboxamide CAS Name: N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(phenylmethyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: 4-benzylsulfonyl-N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]piperazine-1-carboxamide Traditional Name: 4-benzylsulfonyl-N-[4-(2-imidazolin-2-ylamino)benzyl]piperazine-1-carboxamide Formula: C22H28N6O3S MolecularWeight: 456.56112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)NC2=CC=C(C=C2)CNC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN=C(N1)NC2=CC=C(C=C2)CNC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H28N6O3S/c29-22(25-16-18-6-8-20(9-7-18)26-21-23-10-11-24-21)27-12-14-28(15-13-27)32(30,31)17-19-4-2-1-3-5-19/h1-9H,10-17H2,(H,25,29)(H2,23,24,26)