(3S,4S)-4-[methyl(pyrimidin-4-ylmethyl)amino]-1-(phenylsulfonyl)pyrrolidin-3-ol

Systemtic Name: (3S,4S)-4-[methyl(pyrimidin-4-ylmethyl)amino]-1-(phenylsulfonyl)pyrrolidin-3-ol Openeye Name: (3S,4S)-1-(benzenesulfonyl)-4-[methyl(pyrimidin-4-ylmethyl)amino]pyrrolidin-3-ol CAS Name: (3S,4S)-1-(benzenesulfonyl)-4-[methyl(4-pyrimidinylmethyl)amino]-3-pyrrolidinol IUPAC Name: (3S,4S)-1-(benzenesulfonyl)-4-[methyl(pyrimidin-4-ylmethyl)amino]pyrrolidin-3-ol Traditional Name: (3S,4S)-1-besyl-4-[methyl(4-pyrimidylmethyl)amino]pyrrolidin-3-ol Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC=NC=C1)C2CN(CC2O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(CC1=NC=NC=C1)[C@H]2CN(C[C@@H]2O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H20N4O3S/c1-19(9-13-7-8-17-12-18-13)15-10-20(11-16(15)21)24(22,23)14-5-3-2-4-6-14/h2-8,12,15-16,21H,9-11H2,1H3/t15-,16-/m0/s1