N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-methyl-5-morpholinosulfonyl-phenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-methyl-5-morpholinosulfonyl-phenyl)-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetamide Formula: C22H29N4O5S2+ MolecularWeight: 493.61946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H28N4O5S2/c1-17-4-5-18(33(29,30)26-10-12-31-13-11-26)15-19(17)23-21(27)16-24-6-8-25(9-7-24)22(28)20-3-2-14-32-20/h2-5,14-15H,6-13,16H2,1H3,(H,23,27)/p+1