(1R,3S)-1-(aminomethyl)-6-methyl-3-(1-octylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isochromen-5-ol

Systemtic Name: (1R,3S)-1-(aminomethyl)-6-methyl-3-(1-octylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isochromen-5-ol Openeye Name: (1R,3S)-1-(aminomethyl)-6-methyl-3-(1-octylsulfonyl-4-piperidyl)isochroman-5-ol CAS Name: (1R,3S)-1-(aminomethyl)-6-methyl-3-(1-octylsulfonyl-4-piperidinyl)-3,4-dihydro-1H-2-benzopyran-5-ol IUPAC Name: (1R,3S)-1-(aminomethyl)-6-methyl-3-(1-octylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isochromen-5-ol Traditional Name: (1R,3S)-1-(aminomethyl)-6-methyl-3-(1-octylsulfonyl-4-piperidyl)isochroman-5-ol Formula: C24H40N2O4S MolecularWeight: 452.6504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N1CCC(CC1)C2CC3=C(C=CC(=C3O)C)C(O2)CN

Isomeric SMILES

CCCCCCCCS(=O)(=O)N1CCC(CC1)[C@@H]2CC3=C(C=CC(=C3O)C)[C@@H](O2)CN

InChI

InChI=1S/C24H40N2O4S/c1-3-4-5-6-7-8-15-31(28,29)26-13-11-19(12-14-26)22-16-21-20(23(17-25)30-22)10-9-18(2)24(21)27/h9-10,19,22-23,27H,3-8,11-17,25H2,1-2H3/t22-,23-/m0/s1