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

Systemtic Name: ethyl 4-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]sulfonyl-3-bromanyl-benzoate Openeye Name: ethyl 4-[[3-(1,3-benzoxazol-2-yl)-1-piperidyl]sulfonyl]-3-bromo-benzoate CAS Name: 4-[[3-(1,3-benzoxazol-2-yl)-1-piperidinyl]sulfonyl]-3-bromobenzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]sulfonyl-3-bromobenzoate Traditional Name: 4-[3-(1,3-benzoxazol-2-yl)piperidino]sulfonyl-3-bromo-benzoic acid ethyl ester Formula: C21H21BrN2O5S MolecularWeight: 493.37084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NC4=CC=CC=C4O3)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NC4=CC=CC=C4O3)Br

InChI

InChI=1S/C21H21BrN2O5S/c1-2-28-21(25)14-9-10-19(16(22)12-14)30(26,27)24-11-5-6-15(13-24)20-23-17-7-3-4-8-18(17)29-20/h3-4,7-10,12,15H,2,5-6,11,13H2,1H3