N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[2-(4-methylpiperazin-1-yl)-2-(2-thienyl)ethyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[2-(4-methyl-1-piperazinyl)-2-thiophen-2-ylethyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[2-(4-methylpiperazino)-2-(2-thienyl)ethyl]amine Formula: C18H24N4O4S2 MolecularWeight: 424.53756

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CN1CCN(CC1)C(CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C18H24N4O4S2/c1-20-7-9-21(10-8-20)17(18-4-3-11-27-18)13-19-15-6-5-14(28(2,25)26)12-16(15)22(23)24/h3-6,11-12,17,19H,7-10,13H2,1-2H3