N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-[[(2S,6S)-2,6-dimethyl-1-piperidyl]sulfonyl]phenyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[4-[[(2S,6S)-2,6-dimethyl-1-piperidinyl]sulfonyl]phenyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-[(2S,6S)-2,6-dimethylpiperidino]sulfonylphenyl]-1-mesyl-isonipecotamide Formula: C20H31N3O5S2 MolecularWeight: 457.60724

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C20H31N3O5S2/c1-15-5-4-6-16(2)23(15)30(27,28)19-9-7-18(8-10-19)21-20(24)17-11-13-22(14-12-17)29(3,25)26/h7-10,15-17H,4-6,11-14H2,1-3H3,(H,21,24)/t15-,16-/m0/s1