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

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]aniline Openeye Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-morpholin-4-ium-4-ylpropyl)-2-nitro-aniline CAS Name: 5-[4-(benzenesulfonyl)-1-piperazinyl]-N-[3-(4-morpholin-4-iumyl)propyl]-2-nitroaniline IUPAC Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-morpholin-4-ium-4-ylpropyl)-2-nitroaniline Traditional Name: [5-(4-besylpiperazino)-2-nitro-phenyl]-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C23H32N5O5S+ MolecularWeight: 490.59568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O5S/c29-28(30)23-8-7-20(19-22(23)24-9-4-10-25-15-17-33-18-16-25)26-11-13-27(14-12-26)34(31,32)21-5-2-1-3-6-21/h1-3,5-8,19,24H,4,9-18H2/p+1