N-[1-(5-methylfuran-2-yl)ethyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[1-(5-methylfuran-2-yl)ethyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[1-(5-methyl-2-furyl)ethyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-aniline CAS Name: N-[1-(5-methyl-2-furanyl)ethyl]-4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[1-(5-methylfuran-2-yl)ethyl]-4-(4-methylpiperazin-1-yl)sulfonyl-2-nitroaniline Traditional Name: 1-(5-methyl-2-furyl)ethyl-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]amine Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(C)NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(O1)C(C)NC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O5S/c1-13-4-7-18(27-13)14(2)19-16-6-5-15(12-17(16)22(23)24)28(25,26)21-10-8-20(3)9-11-21/h4-7,12,14,19H,8-11H2,1-3H3