(1R,3S)-1-(aminomethyl)-6-methyl-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isochromen-5-ol

Systemtic Name: (1R,3S)-1-(aminomethyl)-6-methyl-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isochromen-5-ol Openeye Name: (1R,3S)-1-(aminomethyl)-3-(1-isopropylsulfonyl-4-piperidyl)-6-methyl-isochroman-5-ol CAS Name: (1R,3S)-1-(aminomethyl)-6-methyl-3-(1-propan-2-ylsulfonyl-4-piperidinyl)-3,4-dihydro-1H-2-benzopyran-5-ol IUPAC Name: (1R,3S)-1-(aminomethyl)-6-methyl-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isochromen-5-ol Traditional Name: (1R,3S)-1-(aminomethyl)-3-(1-isopropylsulfonyl-4-piperidyl)-6-methyl-isochroman-5-ol Formula: C19H30N2O4S MolecularWeight: 382.5175

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O4S/c1-12(2)26(23,24)21-8-6-14(7-9-21)17-10-16-15(18(11-20)25-17)5-4-13(3)19(16)22/h4-5,12,14,17-18,22H,6-11,20H2,1-3H3/t17-,18-/m0/s1