[2-oxidanylidene-2-(4-phenylbutan-2-ylamino)ethyl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylbutan-2-ylamino)ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-[(1-methyl-3-phenyl-propyl)amino]-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-keto-2-[(1-methyl-3-phenyl-propyl)amino]ethyl] ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C24H30N2O5S/c1-19(13-14-20-9-4-2-5-10-20)25-23(27)18-31-24(28)21-11-8-12-22(17-21)32(29,30)26-15-6-3-7-16-26/h2,4-5,8-12,17,19H,3,6-7,13-16,18H2,1H3,(H,25,27)