N-[(1R,2S)-1-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]-1-thiophen-2-yl-propan-2-yl]ethanesulfonamide

Systemtic Name: N-[(1R,2S)-1-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]-1-thiophen-2-yl-propan-2-yl]ethanesulfonamide Openeye Name: N-[(1S,2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-1-methyl-2-(2-thienyl)ethyl]ethanesulfonamide CAS Name: N-[(1R,2S)-1-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide IUPAC Name: N-[(1R,2S)-1-(4-benzylpiperazine-1,4-diium-1-yl)-1-thiophen-2-ylpropan-2-yl]ethanesulfonamide Traditional Name: N-[(1S,2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-1-methyl-2-(2-thienyl)ethyl]ethanesulfonamide Formula: C20H31N3O2S2+2 MolecularWeight: 409.60904

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC(C)C(C1=CC=CS1)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)N[C@@H](C)[C@H](C1=CC=CS1)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H29N3O2S2/c1-3-27(24,25)21-17(2)20(19-10-7-15-26-19)23-13-11-22(12-14-23)16-18-8-5-4-6-9-18/h4-10,15,17,20-21H,3,11-14,16H2,1-2H3/p+2/t17-,20+/m0/s1