[(2S)-1-[cyclohexyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [(2S)-1-[cyclohexyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1S)-2-[cyclohexyl(methyl)amino]-1-methyl-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [(1S)-2-[cyclohexyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C23H34N2O5S MolecularWeight: 450.59146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)N(C)C2CCCCC2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@@H](C)C(=O)N(C)C2CCCCC2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H34N2O5S/c1-17-12-13-19(16-21(17)31(28,29)25-14-8-5-9-15-25)23(27)30-18(2)22(26)24(3)20-10-6-4-7-11-20/h12-13,16,18,20H,4-11,14-15H2,1-3H3/t18-/m0/s1