(E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(3-methylsulfonylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(3-methylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(3-methylsulfonylphenyl)prop-2-enamide CAS Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(3-methylsulfonylphenyl)-2-propenamide IUPAC Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(3-methylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-(3-mesylphenyl)acrylamide Formula: C19H18ClNO5S MolecularWeight: 407.86792

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C=CC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C19H18ClNO5S/c1-27(23,24)15-5-2-4-14(12-15)21-18(22)7-6-13-10-16(20)19-17(11-13)25-8-3-9-26-19/h2,4-7,10-12H,3,8-9H2,1H3,(H,21,22)/b7-6+