[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-piperidin-1-yl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-piperidin-1-yl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-3-yl]-2-oxo-ethyl] 2-(1-piperidyl)-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinyl)-5-(1-piperidinylsulfonyl)benzoic acid [2-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidino-5-piperidinosulfonyl-benzoic acid [2-[2,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C30H41N3O6S MolecularWeight: 571.72804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)N5CCCCC5

Isomeric SMILES

CC1=CC(=C(N1CC2CCCO2)C)C(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)N5CCCCC5

InChI

InChI=1S/C30H41N3O6S/c1-22-18-26(23(2)33(22)20-24-10-9-17-38-24)29(34)21-39-30(35)27-19-25(40(36,37)32-15-7-4-8-16-32)11-12-28(27)31-13-5-3-6-14-31/h11-12,18-19,24H,3-10,13-17,20-21H2,1-2H3