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

Systemtic Name: N-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)acetamide Traditional Name: 2-(4-besylpiperazino)-N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)acetamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4)CC2OC(=C1)O

InChI

InChI=1S/C22H27N3O5S/c1-16-13-22(27)30-20-14-17(7-8-19(16)20)23-21(26)15-24-9-11-25(12-10-24)31(28,29)18-5-3-2-4-6-18/h2-6,13,20,27H,7-12,14-15H2,1H3