N-tert-butyl-4-[[(2R)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[[(2R)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[[(2R)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]amino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[[(2R)-3-methyl-2-(1-pyrrolidin-1-iumyl)butyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[[(2R)-3-methyl-2-pyrrolidin-1-ium-1-ylbutyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[[(2R)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]amino]-3-nitro-benzenesulfonamide Formula: C19H33N4O4S+ MolecularWeight: 413.55472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC1=C(C=C(C=C1)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-])[NH+]2CCCC2

Isomeric SMILES

CC(C)[C@H](CNC1=C(C=C(C=C1)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-])[NH+]2CCCC2

InChI

InChI=1S/C19H32N4O4S/c1-14(2)18(22-10-6-7-11-22)13-20-16-9-8-15(12-17(16)23(24)25)28(26,27)21-19(3,4)5/h8-9,12,14,18,20-21H,6-7,10-11,13H2,1-5H3/p+1/t18-/m0/s1