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

Systemtic Name: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]-3-nitro-benzenesulfonamide Openeye Name: N-[2-(4-methylpiperazin-1-yl)-2-(3-thienyl)ethyl]-3-nitro-benzenesulfonamide CAS Name: N-[2-(4-methyl-1-piperazinyl)-2-(3-thiophenyl)ethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-nitrobenzenesulfonamide Traditional Name: N-[2-(4-methylpiperazino)-2-(3-thienyl)ethyl]-3-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/c1-19-6-8-20(9-7-19)17(14-5-10-26-13-14)12-18-27(24,25)16-4-2-3-15(11-16)21(22)23/h2-5,10-11,13,17-18H,6-9,12H2,1H3