6-chloranyl-N-[2-(phenylmethyl)sulfonylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[2-(phenylmethyl)sulfonylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: N-(2-benzylsulfonylethyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[2-(phenylmethyl)sulfonylethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: N-(2-benzylsulfonylethyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: N-(2-benzylsulfonylethyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)NCCS(=O)(=O)CC3=CC=CC=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)NCCS(=O)(=O)CC3=CC=CC=C3)Cl)OC1

InChI

InChI=1S/C19H20ClNO5S/c20-16-11-15(12-17-18(16)26-9-4-8-25-17)19(22)21-7-10-27(23,24)13-14-5-2-1-3-6-14/h1-3,5-6,11-12H,4,7-10,13H2,(H,21,22)