[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl] 5-(1-piperidylsulfonyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)benzoic acid [2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-piperidinosulfonyl-2-pyrrolidino-benzoic acid [2-(2,6-dimethylpiperidino)-2-keto-ethyl] ester Formula: C25H37N3O5S MolecularWeight: 491.64338

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCCC4)C

Isomeric SMILES

CC1CCCC(N1C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCCC4)C

InChI

InChI=1S/C25H37N3O5S/c1-19-9-8-10-20(2)28(19)24(29)18-33-25(30)22-17-21(11-12-23(22)26-13-6-7-14-26)34(31,32)27-15-4-3-5-16-27/h11-12,17,19-20H,3-10,13-16,18H2,1-2H3