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

Systemtic Name: 7-methyl-4-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-methyl-4-[[5-(1-piperidylsulfonyl)-1,3-benzoxazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[[5-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-methyl-4-[[(5-piperidinosulfonyl-1,3-benzoxazol-2-yl)thio]methyl]coumarin Formula: C23H22N2O5S2 MolecularWeight: 470.56118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(O3)C=CC(=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(O3)C=CC(=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C23H22N2O5S2/c1-15-5-7-18-16(12-22(26)29-21(18)11-15)14-31-23-24-19-13-17(6-8-20(19)30-23)32(27,28)25-9-3-2-4-10-25/h5-8,11-13H,2-4,9-10,14H2,1H3