N-methyl-4-[[(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-yl-ethyl]amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-methyl-4-[[(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-yl-ethyl]amino]-3-nitro-benzenesulfonamide Openeye Name: N-methyl-4-[[(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]amino]-3-nitro-benzenesulfonamide CAS Name: N-methyl-4-[[(2S)-2-(4-methyl-1-piperazine-1,4-diiumyl)-2-thiophen-2-ylethyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-methyl-4-[[(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-ylethyl]amino]-3-nitrobenzenesulfonamide Traditional Name: N-methyl-4-[[(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]amino]-3-nitro-benzenesulfonamide Formula: C18H27N5O4S2+2 MolecularWeight: 441.56808

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)NCC(C2=CC=CS2)[NH+]3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NC[C@@H](C2=CC=CS2)[NH+]3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O4S2/c1-19-29(26,27)14-5-6-15(16(12-14)23(24)25)20-13-17(18-4-3-11-28-18)22-9-7-21(2)8-10-22/h3-6,11-12,17,19-20H,7-10,13H2,1-2H3/p+2/t17-/m0/s1