4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-N-phenyl-benzenesulfonamide

Systemtic Name: 4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: 4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 4-[3-(4-morpholin-4-iumyl)propylamino]-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: 4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-N-phenylbenzenesulfonamide Traditional Name: 4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-N-phenyl-benzenesulfonamide Formula: C19H25N4O5S+ MolecularWeight: 421.4906

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCCNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H24N4O5S/c24-23(25)19-15-17(29(26,27)21-16-5-2-1-3-6-16)7-8-18(19)20-9-4-10-22-11-13-28-14-12-22/h1-3,5-8,15,20-21H,4,9-14H2/p+1