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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(2S)-2-methylpiperidino]sulfonylbenzoic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-14(2)12-20-18(22)13-26-19(23)16-8-6-9-17(11-16)27(24,25)21-10-5-4-7-15(21)3/h6,8-9,11,14-15H,4-5,7,10,12-13H2,1-3H3,(H,20,22)/t15-/m0/s1