[2-oxidanylidene-2-(4-phenylbutan-2-ylamino)ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylbutan-2-ylamino)ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[(1-methyl-3-phenyl-propyl)amino]-2-oxo-ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [2-keto-2-[(1-methyl-3-phenyl-propyl)amino]ethyl] ester Formula: C24H29ClN2O5S MolecularWeight: 493.01546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN2O5S/c1-18(10-11-19-8-4-2-5-9-19)26-23(28)17-32-24(29)20-12-13-21(25)22(16-20)33(30,31)27-14-6-3-7-15-27/h2,4-5,8-9,12-13,16,18H,3,6-7,10-11,14-15,17H2,1H3,(H,26,28)