(3S,4R)-2,2-dimethyl-4-[(2-methylimidazol-1-yl)amino]-6-piperidin-1-ylsulfonyl-3,4-dihydrochromen-3-ol

Systemtic Name: (3S,4R)-2,2-dimethyl-4-[(2-methylimidazol-1-yl)amino]-6-piperidin-1-ylsulfonyl-3,4-dihydrochromen-3-ol Openeye Name: (3S,4R)-2,2-dimethyl-4-[(2-methylimidazol-1-yl)amino]-6-(1-piperidylsulfonyl)chroman-3-ol CAS Name: (3S,4R)-2,2-dimethyl-4-[(2-methyl-1-imidazolyl)amino]-6-(1-piperidinylsulfonyl)-3,4-dihydro-2H-1-benzopyran-3-ol IUPAC Name: (3S,4R)-2,2-dimethyl-4-[(2-methylimidazol-1-yl)amino]-6-piperidin-1-ylsulfonyl-3,4-dihydrochromen-3-ol Traditional Name: (3S,4R)-2,2-dimethyl-4-[(2-methylimidazol-1-yl)amino]-6-piperidinosulfonyl-chroman-3-ol Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1NC2C(C(OC3=C2C=C(C=C3)S(=O)(=O)N4CCCCC4)(C)C)O

Isomeric SMILES

CC1=NC=CN1N[C@H]2[C@@H](C(OC3=C2C=C(C=C3)S(=O)(=O)N4CCCCC4)(C)C)O

InChI

InChI=1S/C20H28N4O4S/c1-14-21-9-12-24(14)22-18-16-13-15(29(26,27)23-10-5-4-6-11-23)7-8-17(16)28-20(2,3)19(18)25/h7-9,12-13,18-19,22,25H,4-6,10-11H2,1-3H3/t18-,19+/m1/s1