[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 5-(1-piperidylsulfonyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)benzoic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-piperidinosulfonyl-2-pyrrolidino-benzoic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCCC4

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCCC4

InChI

InChI=1S/C25H33N3O5S/c1-18-15-21(19(2)26(18)3)24(29)17-33-25(30)22-16-20(9-10-23(22)27-11-7-8-12-27)34(31,32)28-13-5-4-6-14-28/h9-10,15-16H,4-8,11-14,17H2,1-3H3