1-[(3S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[(3S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[(3S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[(3S)-1-(2,5-dimethoxyphenyl)sulfonyl-3-piperidinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3S)-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[(3S)-1-(2,5-dimethoxyphenyl)sulfonylnipecotoyl]isonipecotamide Formula: C20H29N3O6S MolecularWeight: 439.52576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC(C2)C(=O)N3CCC(CC3)C(=O)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC[C@@H](C2)C(=O)N3CCC(CC3)C(=O)N

InChI

InChI=1S/C20H29N3O6S/c1-28-16-5-6-17(29-2)18(12-16)30(26,27)23-9-3-4-15(13-23)20(25)22-10-7-14(8-11-22)19(21)24/h5-6,12,14-15H,3-4,7-11,13H2,1-2H3,(H2,21,24)/t15-/m0/s1