3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)-1-[2-(phenylmethyl)pyrrolidin-1-yl]propan-1-one

Systemtic Name: 3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)-1-[2-(phenylmethyl)pyrrolidin-1-yl]propan-1-one Openeye Name: 1-(2-benzylpyrrolidin-1-yl)-3-[1-methyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]propan-1-one CAS Name: 3-[1-methyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]-1-[2-(phenylmethyl)-1-pyrrolidinyl]-1-propanone IUPAC Name: 1-(2-benzylpyrrolidin-1-yl)-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propan-1-one Traditional Name: 1-(2-benzylpyrrolidino)-3-(1-methyl-5-piperidinosulfonyl-benzimidazol-2-yl)propan-1-one Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)N4CCCC4CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)N4CCCC4CC5=CC=CC=C5

InChI

InChI=1S/C27H34N4O3S/c1-29-25-13-12-23(35(33,34)30-16-6-3-7-17-30)20-24(25)28-26(29)14-15-27(32)31-18-8-11-22(31)19-21-9-4-2-5-10-21/h2,4-5,9-10,12-13,20,22H,3,6-8,11,14-19H2,1H3