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

Systemtic Name: 1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-phenethyl-piperidine-3-carboxamide Openeye Name: 1-[5-[(E)-2-(dimethylamino)vinyl]-3-methyl-isoxazol-4-yl]sulfonyl-N-phenethyl-piperidine-3-carboxamide CAS Name: 1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-4-isoxazolyl]sulfonyl]-N-phenethyl-3-piperidinecarboxamide IUPAC Name: 1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-phenethylpiperidine-3-carboxamide Traditional Name: 1-[5-[(E)-2-(dimethylamino)vinyl]-3-methyl-isoxazol-4-yl]sulfonyl-N-phenethyl-nipecotamide Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NCCC3=CC=CC=C3)C=CN(C)C

Isomeric SMILES

CC1=NOC(=C1S(=O)(=O)N2CCCC(C2)C(=O)NCCC3=CC=CC=C3)/C=C/N(C)C

InChI

InChI=1S/C22H30N4O4S/c1-17-21(20(30-24-17)12-15-25(2)3)31(28,29)26-14-7-10-19(16-26)22(27)23-13-11-18-8-5-4-6-9-18/h4-6,8-9,12,15,19H,7,10-11,13-14,16H2,1-3H3,(H,23,27)/b15-12+