methyl 4-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(1-piperidylsulfonyl)-1,3-benzoxazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-piperidinosulfonyl-1,3-benzoxazol-2-yl)thio]methyl]benzoic acid methyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H22N2O5S2/c1-27-20(24)16-7-5-15(6-8-16)14-29-21-22-18-13-17(9-10-19(18)28-21)30(25,26)23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3