[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-(diisopropylamino)-2-oxo-ethyl] 5-(1-piperidylsulfonyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)benzoic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[di(propan-2-yl)amino]-2-oxoethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-piperidinosulfonyl-2-pyrrolidino-benzoic acid [2-(diisopropylamino)-2-keto-ethyl] ester Formula: C24H37N3O5S MolecularWeight: 479.63268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCCC3

Isomeric SMILES

CC(C)N(C(C)C)C(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCCC3

InChI

InChI=1S/C24H37N3O5S/c1-18(2)27(19(3)4)23(28)17-32-24(29)21-16-20(10-11-22(21)25-12-8-9-13-25)33(30,31)26-14-6-5-7-15-26/h10-11,16,18-19H,5-9,12-15,17H2,1-4H3