(1S,4R)-4-[[4-[(1R,3S)-1-(aminomethyl)-6-methyl-5-oxidanyl-3,4-dihydro-1H-isochromen-3-yl]piperidin-1-yl]sulfonylmethyl]-7,7-dimethyl-bicyclo[2.2.1]heptan-3-one

Systemtic Name: (1S,4R)-4-[[4-[(1R,3S)-1-(aminomethyl)-6-methyl-5-oxidanyl-3,4-dihydro-1H-isochromen-3-yl]piperidin-1-yl]sulfonylmethyl]-7,7-dimethyl-bicyclo[2.2.1]heptan-3-one Openeye Name: (1R,4S)-1-[[4-[(1R,3S)-1-(aminomethyl)-5-hydroxy-6-methyl-isochroman-3-yl]-1-piperidyl]sulfonylmethyl]-7,7-dimethyl-norbornan-2-one CAS Name: (1S,4R)-4-[[4-[(1R,3S)-1-(aminomethyl)-5-hydroxy-6-methyl-3,4-dihydro-1H-2-benzopyran-3-yl]-1-piperidinyl]sulfonylmethyl]-7,7-dimethyl-3-bicyclo[2.2.1]heptanone IUPAC Name: (1S,4R)-4-[[4-[(1R,3S)-1-(aminomethyl)-5-hydroxy-6-methyl-3,4-dihydro-1H-isochromen-3-yl]piperidin-1-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-3-one Traditional Name: (1R,4S)-1-[[4-[(1R,3S)-1-(aminomethyl)-5-hydroxy-6-methyl-isochroman-3-yl]piperidino]sulfonylmethyl]-7,7-dimethyl-norbornan-2-one Formula: C26H38N2O5S MolecularWeight: 490.65532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(OC(C2)C3CCN(CC3)S(=O)(=O)CC45CCC(C4(C)C)CC5=O)CN)O

Isomeric SMILES

CC1=C(C2=C(C=C1)[C@@H](O[C@@H](C2)C3CCN(CC3)S(=O)(=O)C[C@]45CC[C@H](C4(C)C)CC5=O)CN)O

InChI

InChI=1S/C26H38N2O5S/c1-16-4-5-19-20(24(16)30)13-21(33-22(19)14-27)17-7-10-28(11-8-17)34(31,32)15-26-9-6-18(12-23(26)29)25(26,2)3/h4-5,17-18,21-22,30H,6-15,27H2,1-3H3/t18-,21-,22-,26-/m0/s1