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

Systemtic Name: N-[2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[2-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[2-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[2-keto-2-[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-yl]ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C21H31N4O7S+ MolecularWeight: 483.55844

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC(=O)N3CC[NH+](CC3)CC(=O)N4CCOCC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC(=O)N3CC[NH+](CC3)CC(=O)N4CCOCC4)OC1

InChI

InChI=1S/C21H30N4O7S/c26-20(24-6-4-23(5-7-24)16-21(27)25-8-12-30-13-9-25)15-22-33(28,29)17-2-3-18-19(14-17)32-11-1-10-31-18/h2-3,14,22H,1,4-13,15-16H2/p+1