1-[(3R,4S)-7-methoxy-2,2-dimethyl-6-(4-methylphenyl)sulfonyl-3-oxidanyl-3,4-dihydrochromen-4-yl]piperidin-2-one

Systemtic Name: 1-[(3R,4S)-7-methoxy-2,2-dimethyl-6-(4-methylphenyl)sulfonyl-3-oxidanyl-3,4-dihydrochromen-4-yl]piperidin-2-one Openeye Name: 1-[(3R,4S)-3-hydroxy-7-methoxy-2,2-dimethyl-6-(p-tolylsulfonyl)chroman-4-yl]piperidin-2-one CAS Name: 1-[(3R,4S)-3-hydroxy-7-methoxy-2,2-dimethyl-6-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzopyran-4-yl]-2-piperidinone IUPAC Name: 1-[(3R,4S)-3-hydroxy-7-methoxy-2,2-dimethyl-6-(4-methylphenyl)sulfonyl-3,4-dihydrochromen-4-yl]piperidin-2-one Traditional Name: 1-[(3R,4S)-3-hydroxy-7-methoxy-2,2-dimethyl-6-tosyl-chroman-4-yl]-2-piperidone Formula: C24H29NO6S MolecularWeight: 459.55516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C3C(=C2)C(C(C(O3)(C)C)O)N4CCCCC4=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C3C(=C2)[C@@H]([C@H](C(O3)(C)C)O)N4CCCCC4=O)OC

InChI

InChI=1S/C24H29NO6S/c1-15-8-10-16(11-9-15)32(28,29)20-13-17-18(14-19(20)30-4)31-24(2,3)23(27)22(17)25-12-6-5-7-21(25)26/h8-11,13-14,22-23,27H,5-7,12H2,1-4H3/t22-,23+/m0/s1