methyl (2R,4S)-4-azanyl-1-(4-pyridin-4-yloxyphenyl)sulfonyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2R,4S)-4-azanyl-1-(4-pyridin-4-yloxyphenyl)sulfonyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4S)-4-amino-1-[4-(4-pyridyloxy)phenyl]sulfonyl-pyrrolidine-2-carboxylate CAS Name: (2R,4S)-4-amino-1-(4-pyridin-4-yloxyphenyl)sulfonyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S)-4-amino-1-(4-pyridin-4-yloxyphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2R,4S)-4-amino-1-[4-(4-pyridyloxy)phenyl]sulfonyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1S(=O)(=O)C2=CC=C(C=C2)OC3=CC=NC=C3)N

Isomeric SMILES

COC(=O)[C@H]1C[C@@H](CN1S(=O)(=O)C2=CC=C(C=C2)OC3=CC=NC=C3)N

InChI

InChI=1S/C17H19N3O5S/c1-24-17(21)16-10-12(18)11-20(16)26(22,23)15-4-2-13(3-5-15)25-14-6-8-19-9-7-14/h2-9,12,16H,10-11,18H2,1H3/t12-,16+/m0/s1