(3S)-1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: (3S)-1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: (3S)-1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[oxo-[1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinyl]methyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[1-(2,3,5,6-tetramethylphenyl)sulfonylisonipecotoyl]nipecotate Formula: C22H31N2O5S- MolecularWeight: 435.55694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC(C3)C(=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC[C@@H](C3)C(=O)[O-])C)C

InChI

InChI=1S/C22H32N2O5S/c1-14-12-15(2)17(4)20(16(14)3)30(28,29)24-10-7-18(8-11-24)21(25)23-9-5-6-19(13-23)22(26)27/h12,18-19H,5-11,13H2,1-4H3,(H,26,27)/p-1/t19-/m0/s1