N-[4-(4-ethylpiperazin-1-ium-1-yl)butyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-aniline

Systemtic Name: N-[4-(4-ethylpiperazin-1-ium-1-yl)butyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-aniline Openeye Name: N-[4-(4-ethylpiperazin-1-ium-1-yl)butyl]-4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-aniline CAS Name: N-[4-(4-ethyl-1-piperazin-1-iumyl)butyl]-4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitroaniline IUPAC Name: N-[4-(4-ethylpiperazin-1-ium-1-yl)butyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitroaniline Traditional Name: 4-(4-ethylpiperazin-1-ium-1-yl)butyl-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]amine Formula: C22H38N5O4S+ MolecularWeight: 468.63322

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CCCCNC2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C)[N+](=O)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CCCCNC2=C(C=C(C=C2)S(=O)(=O)N3CCC[C@@H](C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H37N5O4S/c1-3-24-13-15-25(16-14-24)11-5-4-10-23-21-9-8-20(17-22(21)27(28)29)32(30,31)26-12-6-7-19(2)18-26/h8-9,17,19,23H,3-7,10-16,18H2,1-2H3/p+1/t19-/m0/s1