[2-[methyl(1-phenylethyl)amino]-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[methyl(1-phenylethyl)amino]-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-[methyl(1-phenylethyl)amino]-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-keto-2-[methyl(1-phenylethyl)amino]ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(C)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C1=CC=CC=C1)N(C)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H28N2O5S/c1-18(19-10-5-3-6-11-19)24(2)22(26)17-30-23(27)20-12-9-13-21(16-20)31(28,29)25-14-7-4-8-15-25/h3,5-6,9-13,16,18H,4,7-8,14-15,17H2,1-2H3