N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-[(4-methylphenyl)methyl]-2-propoxy-benzamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-[(4-methylphenyl)methyl]-2-propoxy-benzamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-2-propoxy-N-(p-tolylmethyl)benzamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-N-[(4-methylphenyl)methyl]-2-propoxybenzamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-methylphenyl)methyl]-2-propoxybenzamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-N-(4-methylbenzyl)-2-propoxy-benzamide Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)N(CC2=CC=C(C=C2)C)C3CCS(=O)(=O)C3

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)N(CC2=CC=C(C=C2)C)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C22H27NO4S/c1-3-13-27-21-7-5-4-6-20(21)22(24)23(19-12-14-28(25,26)16-19)15-18-10-8-17(2)9-11-18/h4-11,19H,3,12-16H2,1-2H3/t19-/m0/s1