[3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-5-phenyl-phenyl]-morpholin-4-yl-methanone

Systemtic Name: [3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-5-phenyl-phenyl]-morpholin-4-yl-methanone Openeye Name: [3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-5-phenyl-phenyl]-morpholino-methanone CAS Name: [3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-5-phenylphenyl]-(4-morpholinyl)methanone IUPAC Name: [3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-5-phenylphenyl]-morpholin-4-ylmethanone Traditional Name: [3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-5-phenyl-phenyl]-morpholino-methanone Formula: C22H28N3O4S+ MolecularWeight: 430.54042

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N3O4S/c1-23-7-9-25(10-8-23)30(27,28)21-16-19(18-5-3-2-4-6-18)15-20(17-21)22(26)24-11-13-29-14-12-24/h2-6,15-17H,7-14H2,1H3/p+1