(4-ethylpiperazin-4-ium-1-yl)-[3-(4-methylthiophen-2-yl)-5-morpholin-4-ylsulfonyl-phenyl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[3-(4-methylthiophen-2-yl)-5-morpholin-4-ylsulfonyl-phenyl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[3-(4-methyl-2-thienyl)-5-morpholinosulfonyl-phenyl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[3-(4-methyl-2-thiophenyl)-5-(4-morpholinylsulfonyl)phenyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[3-(4-methylthiophen-2-yl)-5-morpholin-4-ylsulfonylphenyl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[3-(4-methyl-2-thienyl)-5-morpholinosulfonyl-phenyl]methanone Formula: C22H30N3O4S2+ MolecularWeight: 464.6213

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC(=CC(=C2)C3=CC(=CS3)C)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC(=CC(=C2)C3=CC(=CS3)C)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H29N3O4S2/c1-3-23-4-6-24(7-5-23)22(26)19-13-18(21-12-17(2)16-30-21)14-20(15-19)31(27,28)25-8-10-29-11-9-25/h12-16H,3-11H2,1-2H3/p+1