4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-2-nitro-aniline

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-2-nitro-aniline Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-2-nitro-aniline CAS Name: 4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-2-nitroaniline IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2-nitroaniline Traditional Name: [4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]amine Formula: C23H33N5O5S+2 MolecularWeight: 491.60362

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC(C[NH+]3CCOCC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N[C@H](C[NH+]3CCOCC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H31N5O5S/c1-25-9-11-27(12-10-25)34(31,32)20-7-8-21(23(17-20)28(29)30)24-22(19-5-3-2-4-6-19)18-26-13-15-33-16-14-26/h2-8,17,22,24H,9-16,18H2,1H3/p+2/t22-/m1/s1