3-(benzimidazol-1-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-(benzimidazol-1-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-(benzimidazol-1-yl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(1-benzimidazolyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(benzimidazol-1-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(benzimidazol-1-yl)-1-(4-tosyl-1,4-diazepan-1-yl)propan-1-one Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCN3C=NC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCN3C=NC4=CC=CC=C43

InChI

InChI=1S/C22H26N4O3S/c1-18-7-9-19(10-8-18)30(28,29)26-13-4-12-24(15-16-26)22(27)11-14-25-17-23-20-5-2-3-6-21(20)25/h2-3,5-10,17H,4,11-16H2,1H3