N-ethyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-(phenylmethyl)aniline

Systemtic Name: N-ethyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-(phenylmethyl)aniline Openeye Name: N-benzyl-N-ethyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-ethyl-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitro-N-(phenylmethyl)aniline IUPAC Name: N-benzyl-N-ethyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: benzyl-ethyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O4S/c1-3-22(16-17-7-5-4-6-8-17)19-10-9-18(15-20(19)24(25)26)29(27,28)23-13-11-21(2)12-14-23/h4-10,15H,3,11-14,16H2,1-2H3/p+1