2-[[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[4-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[4-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[4-[(2,5-dimethylphenyl)sulfonylamino]benzoyl]amino]ethyl-diethyl-ammonium Formula: C21H30N3O3S+ MolecularWeight: 404.5462

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C)C

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C)C

InChI

InChI=1S/C21H29N3O3S/c1-5-24(6-2)14-13-22-21(25)18-9-11-19(12-10-18)23-28(26,27)20-15-16(3)7-8-17(20)4/h7-12,15,23H,5-6,13-14H2,1-4H3,(H,22,25)/p+1