N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-[(4-ethylphenyl)methyl]-4-hexoxy-benzamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-[(4-ethylphenyl)methyl]-4-hexoxy-benzamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-ethylphenyl)methyl]-4-hexoxy-benzamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-N-[(4-ethylphenyl)methyl]-4-hexoxybenzamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-ethylphenyl)methyl]-4-hexoxybenzamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-N-(4-ethylbenzyl)-4-hexoxy-benzamide Formula: C26H35NO4S MolecularWeight: 457.6254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)CC)C3CCS(=O)(=O)C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)CC)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C26H35NO4S/c1-3-5-6-7-17-31-25-14-12-23(13-15-25)26(28)27(24-16-18-32(29,30)20-24)19-22-10-8-21(4-2)9-11-22/h8-15,24H,3-7,16-20H2,1-2H3/t24-/m0/s1