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

Systemtic Name: 1-adamantyl-[2-[[4-[butyl(methyl)sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[4-[butyl(methyl)sulfamoyl]anilino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[4-[butyl(methyl)sulfamoyl]anilino]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[4-[butyl(methyl)sulfamoyl]anilino]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-[4-[butyl(methyl)sulfamoyl]anilino]-2-keto-ethyl]ammonium Formula: C23H36N3O3S+ MolecularWeight: 434.61524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H35N3O3S/c1-3-4-9-26(2)30(28,29)21-7-5-20(6-8-21)25-22(27)16-24-23-13-17-10-18(14-23)12-19(11-17)15-23/h5-8,17-19,24H,3-4,9-16H2,1-2H3,(H,25,27)/p+1