[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(2S)-2-methylpiperidino]sulfonylbenzoic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C)C(=O)NCC(C)C

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)O[C@@H](C)C(=O)NCC(C)C

InChI

InChI=1S/C20H30N2O5S/c1-14(2)13-21-19(23)16(4)27-20(24)17-9-7-10-18(12-17)28(25,26)22-11-6-5-8-15(22)3/h7,9-10,12,14-16H,5-6,8,11,13H2,1-4H3,(H,21,23)/t15-,16-/m0/s1