[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(2S)-2-methylpiperidino]sulfonylbenzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-15(2)11-12-21-19(23)14-27-20(24)17-7-9-18(10-8-17)28(25,26)22-13-5-4-6-16(22)3/h7-10,15-16H,4-6,11-14H2,1-3H3,(H,21,23)/t16-/m0/s1