1,3-benzoxazol-2-ylmethyl 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: 1,3-benzoxazol-2-ylmethyl 3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(2S)-2-methylpiperidino]sulfonylbenzoic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4O3

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H22N2O5S/c1-15-7-4-5-12-23(15)29(25,26)17-9-6-8-16(13-17)21(24)27-14-20-22-18-10-2-3-11-19(18)28-20/h2-3,6,8-11,13,15H,4-5,7,12,14H2,1H3/t15-/m0/s1