4-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

Systemtic Name: 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C22H29N3O4S/c1-17-4-5-18(2)21(16-17)30(27,28)24-20-8-6-19(7-9-20)22(26)23-10-3-11-25-12-14-29-15-13-25/h4-9,16,24H,3,10-15H2,1-2H3,(H,23,26)/p+1