3-[2-(phenylmethyl)sulfonylbenzimidazol-1-yl]butan-2-one

Systemtic Name: 3-[2-(phenylmethyl)sulfonylbenzimidazol-1-yl]butan-2-one Openeye Name: 3-(2-benzylsulfonylbenzimidazol-1-yl)butan-2-one CAS Name: 3-[2-(phenylmethyl)sulfonyl-1-benzimidazolyl]-2-butanone IUPAC Name: 3-(2-benzylsulfonylbenzimidazol-1-yl)butan-2-one Traditional Name: 3-(2-benzylsulfonylbenzimidazol-1-yl)butan-2-one Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)N1C2=CC=CC=C2N=C1S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C)N1C2=CC=CC=C2N=C1S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O3S/c1-13(14(2)21)20-17-11-7-6-10-16(17)19-18(20)24(22,23)12-15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3