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

Systemtic Name: 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: 4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: 4-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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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)NCC[NH+]3CCOCC3

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-16-3-4-17(2)20(15-16)29(26,27)23-19-7-5-18(6-8-19)21(25)22-9-10-24-11-13-28-14-12-24/h3-8,15,23H,9-14H2,1-2H3,(H,22,25)/p+1