[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-[benzyl(phenethyl)amino]-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-[benzyl(phenethyl)amino]-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-[benzyl(phenethyl)amino]-2-keto-ethyl] ester Formula: C29H32N2O5S MolecularWeight: 520.63978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H32N2O5S/c32-28(30(22-25-13-6-2-7-14-25)20-17-24-11-4-1-5-12-24)23-36-29(33)26-15-10-16-27(21-26)37(34,35)31-18-8-3-9-19-31/h1-2,4-7,10-16,21H,3,8-9,17-20,22-23H2