N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[(2-methoxyphenyl)methyl]-N-(2-thienylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-o-anisyl-N-(2-thenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C22H23NO5S2 MolecularWeight: 445.55172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN(CC2=CC=CS2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=CC=CC=C1CN(CC2=CC=CS2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H23NO5S2/c1-26-20-8-3-2-6-17(20)15-23(16-18-7-4-13-29-18)30(24,25)19-9-10-21-22(14-19)28-12-5-11-27-21/h2-4,6-10,13-14H,5,11-12,15-16H2,1H3