5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-1,3-dihydrobenzimidazol-2-one

Systemtic Name: 5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-1,3-dihydrobenzimidazol-2-one Openeye Name: 5-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]-1,3-dihydrobenzimidazol-2-one CAS Name: 5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-1,3-dihydrobenzimidazol-2-one IUPAC Name: 5-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]-1,3-dihydrobenzimidazol-2-one Traditional Name: 5-[(4-tosyl-1,4-diazepan-1-yl)sulfonyl]-1,3-dihydrobenzimidazol-2-one Formula: C19H22N4O5S2 MolecularWeight: 450.53178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4

InChI

InChI=1S/C19H22N4O5S2/c1-14-3-5-15(6-4-14)29(25,26)22-9-2-10-23(12-11-22)30(27,28)16-7-8-17-18(13-16)21-19(24)20-17/h3-8,13H,2,9-12H2,1H3,(H2,20,21,24)