1-[5-(3-methylpiperidin-1-yl)sulfonyl-1-(oxolan-2-ylmethyl)benzimidazol-2-yl]sulfanylbutan-2-one

Systemtic Name: 1-[5-(3-methylpiperidin-1-yl)sulfonyl-1-(oxolan-2-ylmethyl)benzimidazol-2-yl]sulfanylbutan-2-one Openeye Name: 1-[5-[(3-methyl-1-piperidyl)sulfonyl]-1-(tetrahydrofuran-2-ylmethyl)benzimidazol-2-yl]sulfanylbutan-2-one CAS Name: 1-[[5-[(3-methyl-1-piperidinyl)sulfonyl]-1-(2-oxolanylmethyl)-2-benzimidazolyl]thio]-2-butanone IUPAC Name: 1-[5-(3-methylpiperidin-1-yl)sulfonyl-1-(oxolan-2-ylmethyl)benzimidazol-2-yl]sulfanylbutan-2-one Traditional Name: 1-[[5-(3-methylpiperidino)sulfonyl-1-(tetrahydrofurfuryl)benzimidazol-2-yl]thio]butan-2-one Formula: C22H31N3O4S2 MolecularWeight: 465.62924

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CSC1=NC2=C(N1CC3CCCO3)C=CC(=C2)S(=O)(=O)N4CCCC(C4)C

Isomeric SMILES

CCC(=O)CSC1=NC2=C(N1CC3CCCO3)C=CC(=C2)S(=O)(=O)N4CCCC(C4)C

InChI

InChI=1S/C22H31N3O4S2/c1-3-17(26)15-30-22-23-20-12-19(31(27,28)24-10-4-6-16(2)13-24)8-9-21(20)25(22)14-18-7-5-11-29-18/h8-9,12,16,18H,3-7,10-11,13-15H2,1-2H3