methyl (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-(phenethylamino)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-(phenethylamino)pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-(phenethylamino)pyrrolidine-2-carboxylate CAS Name: (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-(phenethylamino)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-(phenethylamino)pyrrolidine-2-carboxylate Traditional Name: (2R,4S)-1-(4-methoxyphenyl)sulfonyl-4-(phenethylamino)pyrrolidine-2-carboxylic acid methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC)NCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](C[C@@H]2C(=O)OC)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O5S/c1-27-18-8-10-19(11-9-18)29(25,26)23-15-17(14-20(23)21(24)28-2)22-13-12-16-6-4-3-5-7-16/h3-11,17,20,22H,12-15H2,1-2H3/t17-,20+/m0/s1