N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-[4-(2-thienylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-[4-(2-thenyl)piperazin-1-ium-1-yl]acetamide Formula: C22H31N4O4S2+ MolecularWeight: 479.63594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CS3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CS3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H30N4O4S2/c1-18-4-5-19(15-21(18)32(28,29)26-10-12-30-13-11-26)23-22(27)17-25-8-6-24(7-9-25)16-20-3-2-14-31-20/h2-5,14-15H,6-13,16-17H2,1H3,(H,23,27)/p+1