1-[(2-ethoxyphenyl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2-ethoxyphenyl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(2-ethoxyphenyl)methyl]-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(2-ethoxyphenyl)methyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(2-ethoxyphenyl)methyl]-4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2-ethoxybenzyl)-4-(2-methyl-5-nitro-phenyl)sulfonyl-piperazin-1-ium Formula: C20H26N3O5S+ MolecularWeight: 420.50254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H25N3O5S/c1-3-28-19-7-5-4-6-17(19)15-21-10-12-22(13-11-21)29(26,27)20-14-18(23(24)25)9-8-16(20)2/h4-9,14H,3,10-13,15H2,1-2H3/p+1