diethyl-[2-[2-[[4-methyl-3-(methylsulfonylamino)phenyl]carbonylamino]benzimidazol-1-yl]ethyl]azanium

Systemtic Name: diethyl-[2-[2-[[4-methyl-3-(methylsulfonylamino)phenyl]carbonylamino]benzimidazol-1-yl]ethyl]azanium Openeye Name: diethyl-[2-[2-[[3-(methanesulfonamido)-4-methyl-benzoyl]amino]benzimidazol-1-yl]ethyl]ammonium CAS Name: diethyl-[2-[2-[[[3-(methanesulfonamido)-4-methylphenyl]-oxomethyl]amino]-1-benzimidazolyl]ethyl]ammonium IUPAC Name: diethyl-[2-[2-[[3-(methanesulfonamido)-4-methylbenzoyl]amino]benzimidazol-1-yl]ethyl]azanium Traditional Name: diethyl-[2-[2-[[3-(methanesulfonamido)-4-methyl-benzoyl]amino]benzimidazol-1-yl]ethyl]ammonium Formula: C22H30N5O3S+ MolecularWeight: 444.5703

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=CC(=C(C=C3)C)NS(=O)(=O)C

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3=CC(=C(C=C3)C)NS(=O)(=O)C

InChI

InChI=1S/C22H29N5O3S/c1-5-26(6-2)13-14-27-20-10-8-7-9-18(20)23-22(27)24-21(28)17-12-11-16(3)19(15-17)25-31(4,29)30/h7-12,15,25H,5-6,13-14H2,1-4H3,(H,23,24,28)/p+1