1-[(2-nitrophenyl)methyl]-4-(4-propan-2-ylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2-nitrophenyl)methyl]-4-(4-propan-2-ylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(4-isopropylphenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-[(2-nitrophenyl)methyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(2-nitrophenyl)methyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2-nitrobenzyl)-4-p-cumenylsulfonyl-piperazin-1-ium Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O4S/c1-16(2)17-7-9-19(10-8-17)28(26,27)22-13-11-21(12-14-22)15-18-5-3-4-6-20(18)23(24)25/h3-10,16H,11-15H2,1-2H3/p+1