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

Systemtic Name: [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxo-ethyl] 3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(2S)-2-methylpiperidino]sulfonylbenzoic acid [2-[[(1S)-1-cyclopropylethyl]amino]-2-keto-ethyl] ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC(C)C3CC3

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N[C@@H](C)C3CC3

InChI

InChI=1S/C20H28N2O5S/c1-14-6-3-4-11-22(14)28(25,26)18-8-5-7-17(12-18)20(24)27-13-19(23)21-15(2)16-9-10-16/h5,7-8,12,14-16H,3-4,6,9-11,13H2,1-2H3,(H,21,23)/t14-,15-/m0/s1