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

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 5-(1-piperidylsulfonyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)benzoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-piperidinosulfonyl-2-pyrrolidino-benzoic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)C(=O)OCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)C(=O)OCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O5S/c30-25(27-14-13-21-9-3-1-4-10-21)20-34-26(31)23-19-22(11-12-24(23)28-15-7-8-16-28)35(32,33)29-17-5-2-6-18-29/h1,3-4,9-12,19H,2,5-8,13-18,20H2,(H,27,30)