N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-4-ethanoyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-4-ethanoyl-1H-pyrrole-2-carboxamide Openeye Name: 4-acetyl-N-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]phenyl]-1H-pyrrole-2-carboxamide CAS Name: 4-acetyl-N-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]phenyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-acetyl-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-1H-pyrrole-2-carboxamide Traditional Name: 4-acetyl-N-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonylphenyl]-1H-pyrrole-2-carboxamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CN3)C(=O)C)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CN3)C(=O)C)C

InChI

InChI=1S/C20H25N3O4S/c1-13-8-14(2)12-23(11-13)28(26,27)18-6-4-17(5-7-18)22-20(25)19-9-16(10-21-19)15(3)24/h4-7,9-10,13-14,21H,8,11-12H2,1-3H3,(H,22,25)/t13-,14-/m1/s1