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

Systemtic Name: [2-(3-ethoxypropylamino)-2-oxidanylidene-ethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-(3-ethoxypropylamino)-2-oxo-ethyl] 5-(1-piperidylsulfonyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)benzoic acid [2-(3-ethoxypropylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethoxypropylamino)-2-oxoethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-piperidinosulfonyl-2-pyrrolidino-benzoic acid [2-(3-ethoxypropylamino)-2-keto-ethyl] ester Formula: C23H35N3O6S MolecularWeight: 481.6055

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O6S/c1-2-31-16-8-11-24-22(27)18-32-23(28)20-17-19(9-10-21(20)25-12-6-7-13-25)33(29,30)26-14-4-3-5-15-26/h9-10,17H,2-8,11-16,18H2,1H3,(H,24,27)