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

Systemtic Name: 4-[[(2R)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]amino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-4-[[(2R)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]amino]-3-nitro-benzenesulfonamide CAS Name: 4-[[(2R)-4-methyl-2-(1-pyrrolidin-1-iumyl)pentyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[[(2R)-4-methyl-2-pyrrolidin-1-ium-1-ylpentyl]amino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-4-[[(2R)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]amino]-3-nitro-benzenesulfonamide Formula: C19H33N4O4S+ MolecularWeight: 413.55472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N4O4S/c1-14(2)11-16(22-9-5-6-10-22)13-20-18-8-7-17(12-19(18)23(24)25)28(26,27)21-15(3)4/h7-8,12,14-16,20-21H,5-6,9-11,13H2,1-4H3/p+1/t16-/m1/s1