[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: [2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [2-(diisopropylamino)-2-oxo-ethyl] 4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[di(propan-2-yl)amino]-2-oxoethyl] 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(2S)-2-methylpiperidino]sulfonylbenzoic acid [2-(diisopropylamino)-2-keto-ethyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O5S/c1-15(2)23(16(3)4)20(24)14-28-21(25)18-9-11-19(12-10-18)29(26,27)22-13-7-6-8-17(22)5/h9-12,15-17H,6-8,13-14H2,1-5H3/t17-/m0/s1