4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-ium-1-yl]methyl]benzamide

Systemtic Name: 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-ium-1-yl]methyl]benzamide Openeye Name: 4-[[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]benzamide CAS Name: 4-[[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1,4-diazepan-1-ium-1-yl]methyl]benzamide IUPAC Name: 4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-ium-1-yl]methyl]benzamide Traditional Name: 4-[[4-(3,5-dimethylisoxazol-4-yl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]benzamide Formula: C18H25N4O4S+ MolecularWeight: 393.4805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC[NH+](CC2)CC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C18H24N4O4S/c1-13-17(14(2)26-20-13)27(24,25)22-9-3-8-21(10-11-22)12-15-4-6-16(7-5-15)18(19)23/h4-7H,3,8-12H2,1-2H3,(H2,19,23)/p+1