2-[(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)amino]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)amino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)amino]-1-(4-mesylpiperazino)ethanone Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=NCC(=O)N3CCN(CC3)S(=O)(=O)C)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=NCC(=O)N3CCN(CC3)S(=O)(=O)C)CC2OC(=C1)O

InChI

InChI=1S/C17H25N3O5S/c1-12-9-17(22)25-15-10-13(3-4-14(12)15)18-11-16(21)19-5-7-20(8-6-19)26(2,23)24/h9,15,22H,3-8,10-11H2,1-2H3