1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[(4-fluoranyl-3-methyl-phenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[(4-fluoranyl-3-methyl-phenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-[(4-fluoro-3-methyl-phenyl)methyl]piperidine-4-carboxamide CAS Name: 1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-N-[(4-fluoro-3-methylphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[(4-fluoro-3-methylphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-N-(4-fluoro-3-methyl-benzyl)isonipecotamide Formula: C20H25FN4O4S MolecularWeight: 436.500303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)F

InChI

InChI=1S/C20H25FN4O4S/c1-13-9-14(3-4-17(13)21)11-23-20(27)15-5-7-25(8-6-15)30(28,29)16-10-18(19(22)26)24(2)12-16/h3-4,9-10,12,15H,5-8,11H2,1-2H3,(H2,22,26)(H,23,27)