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

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]-2-nitro-benzenesulfonamide Openeye Name: N-[2-(4-methylpiperazin-1-yl)-2-(3-thienyl)ethyl]-2-nitro-benzenesulfonamide CAS Name: N-[2-(4-methyl-1-piperazinyl)-2-(3-thiophenyl)ethyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-2-nitrobenzenesulfonamide Traditional Name: N-[2-(4-methylpiperazino)-2-(3-thienyl)ethyl]-2-nitro-benzenesulfonamide Formula: C17H22N4O4S2 MolecularWeight: 410.51098

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CSC=C3

Isomeric SMILES

CN1CCN(CC1)C(CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CSC=C3

InChI

InChI=1S/C17H22N4O4S2/c1-19-7-9-20(10-8-19)16(14-6-11-26-13-14)12-18-27(24,25)17-5-3-2-4-15(17)21(22)23/h2-6,11,13,16,18H,7-10,12H2,1H3