N-[(1R,2S)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1R,2S)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1S,2R)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1R,2S)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-yl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(1R,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1S,2R)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C23H34N4O4S2+2 MolecularWeight: 494.67046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)[NH+]2CCOCC2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CC=C1)[NH+]2CCOCC2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H32N4O4S2/c1-19(23(20-6-3-2-4-7-20)26-13-15-31-16-14-26)24-21(28)18-25-9-11-27(12-10-25)33(29,30)22-8-5-17-32-22/h2-8,17,19,23H,9-16,18H2,1H3,(H,24,28)/p+2/t19-,23-/m0/s1