(3R)-3-[[[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]-3-methyl-butan-2-yl]amino]methyl]-2,2-bis(oxidanylidene)-3,4-dihydro-1H-isothiochromen-7-ol

Systemtic Name: (3R)-3-[[[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]-3-methyl-butan-2-yl]amino]methyl]-2,2-bis(oxidanylidene)-3,4-dihydro-1H-isothiochromen-7-ol Openeye Name: (3R)-3-[[[(1S)-1-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidyl]methyl]-2-methyl-propyl]amino]methyl]-2,2-dioxo-3,4-dihydro-1H-isothiochromen-7-ol CAS Name: (3R)-3-[[[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]-3-methylbutan-2-yl]amino]methyl]-2,2-dioxo-3,4-dihydro-1H-2-benzothiopyran-7-ol IUPAC Name: (3R)-3-[[[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]amino]methyl]-2,2-dioxo-3,4-dihydro-1H-isothiochromen-7-ol Traditional Name: (3R)-3-[[[(1S)-1-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-piperidino]methyl]-2-methyl-propyl]amino]methyl]-2,2-diketo-3,4-dihydro-1H-isothiochromen-7-ol Formula: C28H40N2O4S MolecularWeight: 500.6932

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C)C2=CC(=CC=C2)O)CC(C(C)C)NCC3CC4=C(CS3(=O)=O)C=C(C=C4)O

Isomeric SMILES

C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](C(C)C)NC[C@H]3CC4=C(CS3(=O)=O)C=C(C=C4)O

InChI

InChI=1S/C28H40N2O4S/c1-19(2)27(29-15-26-13-21-8-9-25(32)12-22(21)18-35(26,33)34)17-30-11-10-28(4,20(3)16-30)23-6-5-7-24(31)14-23/h5-9,12,14,19-20,26-27,29,31-32H,10-11,13,15-18H2,1-4H3/t20-,26+,27+,28+/m0/s1