N-(2-methyl-3-nitro-phenyl)-3-[4-(phenylsulfonylamino)piperidin-1-ium-1-yl]propanamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-3-[4-(phenylsulfonylamino)piperidin-1-ium-1-yl]propanamide Openeye Name: 3-[4-(benzenesulfonamido)piperidin-1-ium-1-yl]-N-(2-methyl-3-nitro-phenyl)propanamide CAS Name: 3-[4-(benzenesulfonamido)-1-piperidin-1-iumyl]-N-(2-methyl-3-nitrophenyl)propanamide IUPAC Name: 3-[4-(benzenesulfonamido)piperidin-1-ium-1-yl]-N-(2-methyl-3-nitrophenyl)propanamide Traditional Name: 3-[4-(benzenesulfonamido)piperidin-1-ium-1-yl]-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C21H27N4O5S+ MolecularWeight: 447.52788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CC[NH+]2CCC(CC2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CC[NH+]2CCC(CC2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4O5S/c1-16-19(8-5-9-20(16)25(27)28)22-21(26)12-15-24-13-10-17(11-14-24)23-31(29,30)18-6-3-2-4-7-18/h2-9,17,23H,10-15H2,1H3,(H,22,26)/p+1