3-[1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-(4-methoxy-2,3,6-trimethylphenyl)sulfonyl-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-(4-methoxy-2,3,6-trimethylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-(4-methoxy-2,3,6-trimethyl-phenyl)sulfonyl-4-piperidyl]-1H-benzimidazol-2-one Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)N2CCC(CC2)N3C4=CC=CC=C4NC3=O)C)C)OC

InChI

InChI=1S/C22H27N3O4S/c1-14-13-20(29-4)15(2)16(3)21(14)30(27,28)24-11-9-17(10-12-24)25-19-8-6-5-7-18(19)23-22(25)26/h5-8,13,17H,9-12H2,1-4H3,(H,23,26)