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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N=C1CCC2=C(C=C(OC2C1)O)CN3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(=O)N=C1CCC2=C(C=C(OC2C1)O)CN3CCN(CC3)S(=O)(=O)C

InChI

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