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

Systemtic Name: N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-(4-methoxyphenyl)-N-(2-thienylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-(4-methoxyphenyl)-N-(2-thenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H21NO5S2 MolecularWeight: 431.52514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC2=CC=CS2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=CC=C(C=C1)N(CC2=CC=CS2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H21NO5S2/c1-25-17-7-5-16(6-8-17)22(15-18-4-2-13-28-18)29(23,24)19-9-10-20-21(14-19)27-12-3-11-26-20/h2,4-10,13-14H,3,11-12,15H2,1H3