(3R)-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-1-ethanoyl-piperidine-3-carboxamide

Systemtic Name: (3R)-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-1-ethanoyl-piperidine-3-carboxamide Openeye Name: (3R)-1-acetyl-N-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]phenyl]piperidine-3-carboxamide CAS Name: (3R)-1-acetyl-N-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]phenyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-acetyl-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]piperidine-3-carboxamide Traditional Name: (3R)-1-acetyl-N-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonylphenyl]nipecotamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCN(C3)C(=O)C)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@@H]3CCCN(C3)C(=O)C)C

InChI

InChI=1S/C21H31N3O4S/c1-15-11-16(2)13-24(12-15)29(27,28)20-8-6-19(7-9-20)22-21(26)18-5-4-10-23(14-18)17(3)25/h6-9,15-16,18H,4-5,10-14H2,1-3H3,(H,22,26)/t15-,16-,18-/m1/s1