(2-oxidanylidene-2-phenylazanyl-ethyl) 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-yl-benzoate Openeye Name: (2-anilino-2-oxo-ethyl) 5-(1-piperidylsulfonyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(1-piperidinylsulfonyl)-2-(1-pyrrolidinyl)benzoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-piperidinosulfonyl-2-pyrrolidino-benzoic acid (2-anilino-2-keto-ethyl) ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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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)NC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)C(=O)OCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O5S/c28-23(25-19-9-3-1-4-10-19)18-32-24(29)21-17-20(11-12-22(21)26-13-7-8-14-26)33(30,31)27-15-5-2-6-16-27/h1,3-4,9-12,17H,2,5-8,13-16,18H2,(H,25,28)