5-ethyl-1-[(3S,5S)-5-(hydroxymethyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-3-yl]pyrimidine-2,4-dione

Systemtic Name: 5-ethyl-1-[(3S,5S)-5-(hydroxymethyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-3-yl]pyrimidine-2,4-dione Openeye Name: 5-ethyl-1-[(3S,5S)-5-(hydroxymethyl)-1-(p-tolylsulfonyl)pyrrolidin-3-yl]pyrimidine-2,4-dione CAS Name: 5-ethyl-1-[(3S,5S)-5-(hydroxymethyl)-1-(4-methylphenyl)sulfonyl-3-pyrrolidinyl]pyrimidine-2,4-dione IUPAC Name: 5-ethyl-1-[(3S,5S)-5-(hydroxymethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]pyrimidine-2,4-dione Traditional Name: 5-ethyl-1-[(3S,5S)-5-methylol-1-tosyl-pyrrolidin-3-yl]pyrimidine-2,4-quinone Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(C(=O)NC1=O)C2CC(N(C2)S(=O)(=O)C3=CC=C(C=C3)C)CO

Isomeric SMILES

CCC1=CN(C(=O)NC1=O)[C@H]2C[C@H](N(C2)S(=O)(=O)C3=CC=C(C=C3)C)CO

InChI

InChI=1S/C18H23N3O5S/c1-3-13-9-20(18(24)19-17(13)23)14-8-15(11-22)21(10-14)27(25,26)16-6-4-12(2)5-7-16/h4-7,9,14-15,22H,3,8,10-11H2,1-2H3,(H,19,23,24)/t14-,15-/m0/s1