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

Systemtic Name: methyl (2R,4S)-1-(4-pentylphenyl)sulfonyl-4-piperidin-1-yl-pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4S)-1-(4-pentylphenyl)sulfonyl-4-(1-piperidyl)pyrrolidine-2-carboxylate CAS Name: (2R,4S)-1-(4-pentylphenyl)sulfonyl-4-(1-piperidinyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S)-1-(4-pentylphenyl)sulfonyl-4-piperidin-1-ylpyrrolidine-2-carboxylate Traditional Name: (2R,4S)-1-(4-amylphenyl)sulfonyl-4-piperidino-pyrrolidine-2-carboxylic acid methyl ester Formula: C22H34N2O4S MolecularWeight: 422.58136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC)N3CCCCC3

Isomeric SMILES

CCCCCC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](C[C@@H]2C(=O)OC)N3CCCCC3

InChI

InChI=1S/C22H34N2O4S/c1-3-4-6-9-18-10-12-20(13-11-18)29(26,27)24-17-19(16-21(24)22(25)28-2)23-14-7-5-8-15-23/h10-13,19,21H,3-9,14-17H2,1-2H3/t19-,21+/m0/s1