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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: (2-anilino-2-oxo-ethyl) 4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(2S)-2-methylpiperidino]sulfonylbenzoic acid (2-anilino-2-keto-ethyl) ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5S/c1-16-7-5-6-14-23(16)29(26,27)19-12-10-17(11-13-19)21(25)28-15-20(24)22-18-8-3-2-4-9-18/h2-4,8-13,16H,5-7,14-15H2,1H3,(H,22,24)/t16-/m0/s1