4-chloranyl-N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-methylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-methylsulfonyl-benzamide Openeye Name: 4-chloro-N-[4-[[(2S,6S)-2,6-dimethyl-1-piperidyl]sulfonyl]phenyl]-3-methylsulfonyl-benzamide CAS Name: 4-chloro-N-[4-[[(2S,6S)-2,6-dimethyl-1-piperidinyl]sulfonyl]phenyl]-3-methylsulfonylbenzamide IUPAC Name: 4-chloro-N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]-3-methylsulfonylbenzamide Traditional Name: 4-chloro-N-[4-[(2S,6S)-2,6-dimethylpiperidino]sulfonylphenyl]-3-mesyl-benzamide Formula: C21H25ClN2O5S2 MolecularWeight: 485.0166

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)C)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)C)C

InChI

InChI=1S/C21H25ClN2O5S2/c1-14-5-4-6-15(2)24(14)31(28,29)18-10-8-17(9-11-18)23-21(25)16-7-12-19(22)20(13-16)30(3,26)27/h7-15H,4-6H2,1-3H3,(H,23,25)/t14-,15-/m0/s1