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

Systemtic Name: methyl (2R,4S)-4-azanyl-1-(4-phenoxyphenyl)sulfonyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4S)-4-amino-1-(4-phenoxyphenyl)sulfonyl-pyrrolidine-2-carboxylate CAS Name: (2R,4S)-4-amino-1-(4-phenoxyphenyl)sulfonyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S)-4-amino-1-(4-phenoxyphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2R,4S)-4-amino-1-(4-phenoxyphenyl)sulfonyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5S/c1-24-18(21)17-11-13(19)12-20(17)26(22,23)16-9-7-15(8-10-16)25-14-5-3-2-4-6-14/h2-10,13,17H,11-12,19H2,1H3/t13-,17+/m0/s1