N5-(phenylmethyl)-3-(phenylsulfonylmethyl)-N4-prop-2-enyl-1,2-oxazole-4,5-dicarboxamide

Systemtic Name: N5-(phenylmethyl)-3-(phenylsulfonylmethyl)-N4-prop-2-enyl-1,2-oxazole-4,5-dicarboxamide Openeye Name: N4-allyl-3-(benzenesulfonylmethyl)-N5-benzyl-isoxazole-4,5-dicarboxamide CAS Name: 3-(benzenesulfonylmethyl)-N5-(phenylmethyl)-N4-prop-2-enylisoxazole-4,5-dicarboxamide IUPAC Name: 3-(benzenesulfonylmethyl)-5-N-benzyl-4-N-prop-2-enyl-1,2-oxazole-4,5-dicarboxamide Traditional Name: N-allyl-N'-benzyl-3-(besylmethyl)isoxazole-4,5-dicarboxamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=C(ON=C1CS(=O)(=O)C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C=CCNC(=O)C1=C(ON=C1CS(=O)(=O)C2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O5S/c1-2-13-23-21(26)19-18(15-31(28,29)17-11-7-4-8-12-17)25-30-20(19)22(27)24-14-16-9-5-3-6-10-16/h2-12H,1,13-15H2,(H,23,26)(H,24,27)