N-[1-(1-adamantyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[1-(1-adamantyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[1-(1-adamantyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[1-(1-adamantyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C21H29NO4S/c1-14(21-11-15-7-16(12-21)9-17(8-15)13-21)22-27(23,24)18-3-4-19-20(10-18)26-6-2-5-25-19/h3-4,10,14-17,22H,2,5-9,11-13H2,1H3