2-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[2-(4-methylpiperazin-1-yl)-2-(3-thienyl)ethyl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[2-(4-methyl-1-piperazinyl)-2-(3-thiophenyl)ethyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-5-nitrobenzenesulfonamide Traditional Name: 2-methyl-N-[2-(4-methylpiperazino)-2-(3-thienyl)ethyl]-5-nitro-benzenesulfonamide Formula: C18H24N4O4S2 MolecularWeight: 424.53756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC(C2=CSC=C2)N3CCN(CC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC(C2=CSC=C2)N3CCN(CC3)C

InChI

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