1,3-benzoxazol-2-ylmethyl 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: 1,3-benzoxazol-2-ylmethyl 4-chloro-3-[(3-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-chloro-3-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(3-methylpiperidino)sulfonyl-benzoic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4O3)Cl

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4O3)Cl

InChI

InChI=1S/C21H21ClN2O5S/c1-14-5-4-10-24(12-14)30(26,27)19-11-15(8-9-16(19)22)21(25)28-13-20-23-17-6-2-3-7-18(17)29-20/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3