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

Systemtic Name: 3-acetamido-N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]benzamide Openeye Name: 3-acetamido-N-[4-[[(2S,6S)-2,6-dimethyl-1-piperidyl]sulfonyl]phenyl]benzamide CAS Name: 3-acetamido-N-[4-[[(2S,6S)-2,6-dimethyl-1-piperidinyl]sulfonyl]phenyl]benzamide IUPAC Name: 3-acetamido-N-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]benzamide Traditional Name: 3-acetamido-N-[4-[(2S,6S)-2,6-dimethylpiperidino]sulfonylphenyl]benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c1-15-6-4-7-16(2)25(15)30(28,29)21-12-10-19(11-13-21)24-22(27)18-8-5-9-20(14-18)23-17(3)26/h5,8-16H,4,6-7H2,1-3H3,(H,23,26)(H,24,27)/t15-,16-/m0/s1