[2-[methyl(1-phenylethyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[methyl(1-phenylethyl)amino]-2-oxidanylidene-ethyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[methyl(1-phenylethyl)amino]-2-oxo-ethyl] 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid [2-keto-2-[methyl(1-phenylethyl)amino]ethyl] ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC(=O)N(C)C(C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC(=O)N(C)C(C)C3=CC=CC=C3

InChI

InChI=1S/C24H30N2O5S/c1-18-12-13-21(32(29,30)26-14-8-5-9-15-26)16-22(18)24(28)31-17-23(27)25(3)19(2)20-10-6-4-7-11-20/h4,6-7,10-13,16,19H,5,8-9,14-15,17H2,1-3H3