methyl 3-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]sulfonyl-4-methyl-benzoate

Systemtic Name: methyl 3-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]sulfonyl-4-methyl-benzoate Openeye Name: methyl 3-[[3-(1,3-benzoxazol-2-yl)-1-piperidyl]sulfonyl]-4-methyl-benzoate CAS Name: 3-[[3-(1,3-benzoxazol-2-yl)-1-piperidinyl]sulfonyl]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]sulfonyl-4-methylbenzoate Traditional Name: 3-[3-(1,3-benzoxazol-2-yl)piperidino]sulfonyl-4-methyl-benzoic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCCC(C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCCC(C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H22N2O5S/c1-14-9-10-15(21(24)27-2)12-19(14)29(25,26)23-11-5-6-16(13-23)20-22-17-7-3-4-8-18(17)28-20/h3-4,7-10,12,16H,5-6,11,13H2,1-2H3