(3S,4R)-4-azanyl-2,2-dimethyl-6-[3-(phenylmethyl)piperidin-1-yl]sulfonyl-3,4-dihydrochromen-3-ol

Systemtic Name: (3S,4R)-4-azanyl-2,2-dimethyl-6-[3-(phenylmethyl)piperidin-1-yl]sulfonyl-3,4-dihydrochromen-3-ol Openeye Name: (3S,4R)-4-amino-6-[(3-benzyl-1-piperidyl)sulfonyl]-2,2-dimethyl-chroman-3-ol CAS Name: (3S,4R)-4-amino-2,2-dimethyl-6-[[3-(phenylmethyl)-1-piperidinyl]sulfonyl]-3,4-dihydro-2H-1-benzopyran-3-ol IUPAC Name: (3S,4R)-4-amino-6-(3-benzylpiperidin-1-yl)sulfonyl-2,2-dimethyl-3,4-dihydrochromen-3-ol Traditional Name: (3S,4R)-4-amino-6-(3-benzylpiperidino)sulfonyl-2,2-dimethyl-chroman-3-ol Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCC(C3)CC4=CC=CC=C4)N)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCC(C3)CC4=CC=CC=C4)N)O)C

InChI

InChI=1S/C23H30N2O4S/c1-23(2)22(26)21(24)19-14-18(10-11-20(19)29-23)30(27,28)25-12-6-9-17(15-25)13-16-7-4-3-5-8-16/h3-5,7-8,10-11,14,17,21-22,26H,6,9,12-13,15,24H2,1-2H3/t17?,21-,22+/m1/s1