4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)butanamide

Systemtic Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)butanamide Openeye Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)butanamide CAS Name: 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)butanamide IUPAC Name: 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)butanamide Traditional Name: 4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)butyramide Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=NC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)F)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=NC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)F)CC2OC(=C1)O

InChI

InChI=1S/C21H25FN2O5S/c1-14-12-21(26)29-19-13-16(7-10-18(14)19)23-20(25)4-3-11-24(2)30(27,28)17-8-5-15(22)6-9-17/h5-6,8-9,12,19,26H,3-4,7,10-11,13H2,1-2H3