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

Systemtic Name: N-tert-butyl-4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[2-(4-morpholin-4-iumyl)ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-(2-morpholin-4-ium-4-ylethylamino)-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-(2-morpholin-4-ium-4-ylethylamino)-3-nitro-benzenesulfonamide Formula: C16H27N4O5S+ MolecularWeight: 387.47438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC[NH+]2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC[NH+]2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H26N4O5S/c1-16(2,3)18-26(23,24)13-4-5-14(15(12-13)20(21)22)17-6-7-19-8-10-25-11-9-19/h4-5,12,17-18H,6-11H2,1-3H3/p+1