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

Systemtic Name: N-[2-(4-fluorophenyl)-2-morpholin-4-yl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-(4-fluorophenyl)-2-morpholino-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-(4-fluorophenyl)-2-(4-morpholinyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-(4-fluorophenyl)-2-morpholino-ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC(C3=CC=C(C=C3)F)N4CCOCC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC(C3=CC=C(C=C3)F)N4CCOCC4)OC1

InChI

InChI=1S/C21H25FN2O5S/c22-17-4-2-16(3-5-17)19(24-8-12-27-13-9-24)15-23-30(25,26)18-6-7-20-21(14-18)29-11-1-10-28-20/h2-7,14,19,23H,1,8-13,15H2