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

Systemtic Name: 4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-N-phenyl-benzenesulfonamide Openeye Name: 4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-N-phenyl-benzenesulfonamide CAS Name: 4-[2-(4-morpholin-4-iumyl)ethylamino]-3-nitro-N-phenylbenzenesulfonamide IUPAC Name: 4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-N-phenylbenzenesulfonamide Traditional Name: 4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-N-phenyl-benzenesulfonamide Formula: C18H23N4O5S+ MolecularWeight: 407.46402

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O5S/c23-22(24)18-14-16(28(25,26)20-15-4-2-1-3-5-15)6-7-17(18)19-8-9-21-10-12-27-13-11-21/h1-7,14,19-20H,8-13H2/p+1