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

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-(phenylmethyl)aniline Openeye Name: N-benzyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: 4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitro-N-(phenylmethyl)aniline IUPAC Name: N-benzyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: benzyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C18H23N4O4S+ MolecularWeight: 391.46462

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4S/c1-20-9-11-21(12-10-20)27(25,26)16-7-8-17(18(13-16)22(23)24)19-14-15-5-3-2-4-6-15/h2-8,13,19H,9-12,14H2,1H3/p+1