[2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxo-1-phenylethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N(C)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N(C)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H28N2O5S/c1-17-12-13-19(16-20(17)31(28,29)25-14-8-5-9-15-25)23(27)30-21(22(26)24(2)3)18-10-6-4-7-11-18/h4,6-7,10-13,16,21H,5,8-9,14-15H2,1-3H3