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

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[2-(4-methoxyphenyl)ethyl]-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: 2-(4-methoxyphenyl)ethyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C20H27N4O5S+ MolecularWeight: 435.51718

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O5S/c1-22-11-13-23(14-12-22)30(27,28)18-7-8-19(20(15-18)24(25)26)21-10-9-16-3-5-17(29-2)6-4-16/h3-8,15,21H,9-14H2,1-2H3/p+1