[2-[[4-[butyl(methyl)sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl]-cyclooctyl-azanium

Systemtic Name: [2-[[4-[butyl(methyl)sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl]-cyclooctyl-azanium Openeye Name: [2-[4-[butyl(methyl)sulfamoyl]anilino]-2-oxo-ethyl]-cyclooctyl-ammonium CAS Name: [2-[4-[butyl(methyl)sulfamoyl]anilino]-2-oxoethyl]-cyclooctylammonium IUPAC Name: [2-[4-[butyl(methyl)sulfamoyl]anilino]-2-oxoethyl]-cyclooctylazanium Traditional Name: [2-[4-[butyl(methyl)sulfamoyl]anilino]-2-keto-ethyl]-cyclooctyl-ammonium Formula: C21H36N3O3S+ MolecularWeight: 410.59384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C[NH2+]C2CCCCCCC2

Isomeric SMILES

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C[NH2+]C2CCCCCCC2

InChI

InChI=1S/C21H35N3O3S/c1-3-4-16-24(2)28(26,27)20-14-12-19(13-15-20)23-21(25)17-22-18-10-8-6-5-7-9-11-18/h12-15,18,22H,3-11,16-17H2,1-2H3,(H,23,25)/p+1