4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-benzenesulfonamide CAS Name: 4-[3-(4-morpholin-4-iumyl)propylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-benzenesulfonamide Formula: C16H27N4O5S+ MolecularWeight: 387.47438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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