5-(4-methylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-nitro-aniline

Systemtic Name: 5-(4-methylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-nitro-aniline Openeye Name: 5-(4-methylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-nitro-aniline CAS Name: 5-(4-methylsulfonyl-1-piperazinyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-2-nitroaniline IUPAC Name: 5-(4-methylsulfonylpiperazin-1-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-nitroaniline Traditional Name: [5-(4-mesylpiperazino)-2-nitro-phenyl]-(2-morpholin-4-ium-4-ylethyl)amine Formula: C17H28N5O5S+ MolecularWeight: 414.49972

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC[NH+]3CCOCC3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC[NH+]3CCOCC3

InChI

InChI=1S/C17H27N5O5S/c1-28(25,26)21-8-6-20(7-9-21)15-2-3-17(22(23)24)16(14-15)18-4-5-19-10-12-27-13-11-19/h2-3,14,18H,4-13H2,1H3/p+1