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

Systemtic Name: methyl (2R,4S)-1-(4-phenoxyphenyl)sulfonyl-4-piperidin-1-yl-pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4S)-1-(4-phenoxyphenyl)sulfonyl-4-(1-piperidyl)pyrrolidine-2-carboxylate CAS Name: (2R,4S)-1-(4-phenoxyphenyl)sulfonyl-4-(1-piperidinyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S)-1-(4-phenoxyphenyl)sulfonyl-4-piperidin-1-ylpyrrolidine-2-carboxylate Traditional Name: (2R,4S)-1-(4-phenoxyphenyl)sulfonyl-4-piperidino-pyrrolidine-2-carboxylic acid methyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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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)N4CCCCC4

Isomeric SMILES

COC(=O)[C@H]1C[C@@H](CN1S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C23H28N2O5S/c1-29-23(26)22-16-18(24-14-6-3-7-15-24)17-25(22)31(27,28)21-12-10-20(11-13-21)30-19-8-4-2-5-9-19/h2,4-5,8-13,18,22H,3,6-7,14-17H2,1H3/t18-,22+/m0/s1