N-tert-butyl-4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[[2-methyl-2-(4-morpholin-4-iumyl)propyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)amino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]-3-nitro-benzenesulfonamide Formula: C18H31N4O5S+ MolecularWeight: 415.52754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4O5S/c1-17(2,3)20-28(25,26)14-6-7-15(16(12-14)22(23)24)19-13-18(4,5)21-8-10-27-11-9-21/h6-7,12,19-20H,8-11,13H2,1-5H3/p+1