[4-methyl-3-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]sulfonyl-(3-methylphenyl)azanide

Systemtic Name: [4-methyl-3-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]sulfonyl-(3-methylphenyl)azanide Openeye Name: [4-methyl-3-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]sulfonyl-(m-tolyl)azanide CAS Name: [4-methyl-3-[[3-(4-morpholin-4-iumyl)propylamino]-oxomethyl]phenyl]sulfonyl-(3-methylphenyl)azanide IUPAC Name: [4-methyl-3-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]sulfonyl-(3-methylphenyl)azanide Traditional Name: [4-methyl-3-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]sulfonyl-(m-tolyl)azanide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[N-]S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=CC=C1)[N-]S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C22H28N3O4S/c1-17-5-3-6-19(15-17)24-30(27,28)20-8-7-18(2)21(16-20)22(26)23-9-4-10-25-11-13-29-14-12-25/h3,5-8,15-16H,4,9-14H2,1-2H3,(H,23,26)/q-1/p+1