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

Systemtic Name: [2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-3-yl]-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(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] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-[2,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C25H32N2O6S MolecularWeight: 488.59638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O6S/c1-18-14-23(19(2)27(18)16-21-9-7-13-32-21)24(28)17-33-25(29)20-8-6-10-22(15-20)34(30,31)26-11-4-3-5-12-26/h6,8,10,14-15,21H,3-5,7,9,11-13,16-17H2,1-2H3