N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]ethanamide Openeye Name: 2-[allyl(2-thienylsulfonyl)amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]acetamide Traditional Name: 2-[allyl(2-thienylsulfonyl)amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC(=O)NC1=CC2=C(C=C1)OCCCO2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C=CCN(CC(=O)NC1=CC2=C(C=C1)OCCCO2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H20N2O5S2/c1-2-8-20(27(22,23)18-5-3-11-26-18)13-17(21)19-14-6-7-15-16(12-14)25-10-4-9-24-15/h2-3,5-7,11-12H,1,4,8-10,13H2,(H,19,21)