N-(2-chlorophenyl)-4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-chlorophenyl)-4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-benzenesulfonamide Openeye Name: N-(2-chlorophenyl)-4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-benzenesulfonamide CAS Name: N-(2-chlorophenyl)-4-[2-(4-morpholin-4-iumyl)ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-(2-chlorophenyl)-4-(2-morpholin-4-ium-4-ylethylamino)-3-nitrobenzenesulfonamide Traditional Name: N-(2-chlorophenyl)-4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-benzenesulfonamide Formula: C18H22ClN4O5S+ MolecularWeight: 441.90908

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H21ClN4O5S/c19-15-3-1-2-4-16(15)21-29(26,27)14-5-6-17(18(13-14)23(24)25)20-7-8-22-9-11-28-12-10-22/h1-6,13,20-21H,7-12H2/p+1