1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

Systemtic Name: 1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide Openeye Name: 1-[5-[(E)-2-(dimethylamino)vinyl]-3-methyl-isoxazol-4-yl]sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide CAS Name: 1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-4-isoxazolyl]sulfonyl]-N-[(4-fluorophenyl)methyl]-3-piperidinecarboxamide IUPAC Name: 1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide Traditional Name: 1-[5-[(E)-2-(dimethylamino)vinyl]-3-methyl-isoxazol-4-yl]sulfonyl-N-(4-fluorobenzyl)nipecotamide Formula: C21H27FN4O4S MolecularWeight: 450.526883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)F)C=CN(C)C

Isomeric SMILES

CC1=NOC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=C(C=C3)F)/C=C/N(C)C

InChI

InChI=1S/C21H27FN4O4S/c1-15-20(19(30-24-15)10-12-25(2)3)31(28,29)26-11-4-5-17(14-26)21(27)23-13-16-6-8-18(22)9-7-16/h6-10,12,17H,4-5,11,13-14H2,1-3H3,(H,23,27)/b12-10+