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

Systemtic Name: methyl (2R,4S)-4-piperidin-1-yl-1-(4-propoxyphenyl)sulfonyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4S)-4-(1-piperidyl)-1-(4-propoxyphenyl)sulfonyl-pyrrolidine-2-carboxylate CAS Name: (2R,4S)-4-(1-piperidinyl)-1-(4-propoxyphenyl)sulfonyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S)-4-piperidin-1-yl-1-(4-propoxyphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2R,4S)-4-piperidino-1-(4-propoxyphenyl)sulfonyl-pyrrolidine-2-carboxylic acid methyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC)N3CCCCC3

Isomeric SMILES

CCCOC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](C[C@@H]2C(=O)OC)N3CCCCC3

InChI

InChI=1S/C20H30N2O5S/c1-3-13-27-17-7-9-18(10-8-17)28(24,25)22-15-16(14-19(22)20(23)26-2)21-11-5-4-6-12-21/h7-10,16,19H,3-6,11-15H2,1-2H3/t16-,19+/m0/s1