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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(2S)-2-methylpiperidino]sulfonylbenzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S/c1-13(2)19-17(21)12-25-18(22)15-8-6-9-16(11-15)26(23,24)20-10-5-4-7-14(20)3/h6,8-9,11,13-14H,4-5,7,10,12H2,1-3H3,(H,19,21)/t14-/m0/s1