N-tert-butyl-4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-1-yl]-3-nitro-benzenesulfonamide Formula: C23H33N4O5S+ MolecularWeight: 477.59692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H32N4O5S/c1-17-6-9-22(32-5)18(14-17)16-25-10-12-26(13-11-25)20-8-7-19(15-21(20)27(28)29)33(30,31)24-23(2,3)4/h6-9,14-15,24H,10-13,16H2,1-5H3/p+1