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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enyl-amino]ethanamide Openeye Name: 2-[allyl-(4-methoxyphenyl)sulfonyl-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-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide Traditional Name: 2-[allyl-(4-methoxyphenyl)sulfonyl-amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC=C)CC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC=C)CC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H24N2O6S/c1-3-11-23(30(25,26)18-8-6-17(27-2)7-9-18)15-21(24)22-16-5-10-19-20(14-16)29-13-4-12-28-19/h3,5-10,14H,1,4,11-13,15H2,2H3,(H,22,24)