N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(methylsulfonylmethyl)benzamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(methylsulfonylmethyl)benzamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(methylsulfonylmethyl)benzamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(methylsulfonylmethyl)benzamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(methylsulfonylmethyl)benzamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(mesylmethyl)benzamide Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC(=CC=C3)CS(=O)(=O)C

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC(=CC=C3)CS(=O)(=O)C

InChI

InChI=1S/C20H23NO5S/c1-14(16-7-8-18-19(12-16)26-10-4-9-25-18)21-20(22)17-6-3-5-15(11-17)13-27(2,23)24/h3,5-8,11-12,14H,4,9-10,13H2,1-2H3,(H,21,22)