N-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide CAS Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-2-[4-[(1-methyl-4-pyrazolyl)sulfonyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazino]acetamide Formula: C20H27N5O5S MolecularWeight: 449.52388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CN(N=C4)C)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CN(N=C4)C)CC2OC(=C1)O

InChI

InChI=1S/C20H27N5O5S/c1-14-9-20(27)30-18-10-15(3-4-17(14)18)22-19(26)13-24-5-7-25(8-6-24)31(28,29)16-11-21-23(2)12-16/h9,11-12,18,27H,3-8,10,13H2,1-2H3