N-cyclopropyl-2-methoxy-5-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-cyclopropyl-2-methoxy-5-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-cyclopropyl-2-methoxy-5-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-cyclopropyl-2-methoxy-5-[[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-cyclopropyl-2-methoxy-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-cyclopropyl-5-[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-carbonyl]-2-methoxy-benzenesulfonamide Formula: C21H31N4O6S+ MolecularWeight: 467.55904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCOCC3)S(=O)(=O)NC4CC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCOCC3)S(=O)(=O)NC4CC4

InChI

InChI=1S/C21H30N4O6S/c1-30-18-5-2-16(14-19(18)32(28,29)22-17-3-4-17)21(27)25-8-6-23(7-9-25)15-20(26)24-10-12-31-13-11-24/h2,5,14,17,22H,3-4,6-13,15H2,1H3/p+1