5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3-morpholin-4-ium-4-ylpropyl)-2-nitro-aniline

Systemtic Name: 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3-morpholin-4-ium-4-ylpropyl)-2-nitro-aniline Openeye Name: 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3-morpholin-4-ium-4-ylpropyl)-2-nitro-aniline CAS Name: 5-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-N-[3-(4-morpholin-4-iumyl)propyl]-2-nitroaniline IUPAC Name: 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(3-morpholin-4-ium-4-ylpropyl)-2-nitroaniline Traditional Name: [5-[4-(4-chlorophenyl)sulfonylpiperazino]-2-nitro-phenyl]-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C23H31ClN5O5S+ MolecularWeight: 525.04074

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCCNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H30ClN5O5S/c24-19-2-5-21(6-3-19)35(32,33)28-12-10-27(11-13-28)20-4-7-23(29(30)31)22(18-20)25-8-1-9-26-14-16-34-17-15-26/h2-7,18,25H,1,8-17H2/p+1