1-adamantyl-[(2S)-1-oxidanylidene-1-[[4-(propan-2-ylsulfamoyl)phenyl]amino]propan-2-yl]azanium

Systemtic Name: 1-adamantyl-[(2S)-1-oxidanylidene-1-[[4-(propan-2-ylsulfamoyl)phenyl]amino]propan-2-yl]azanium Openeye Name: 1-adamantyl-[(1S)-2-[4-(isopropylsulfamoyl)anilino]-1-methyl-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]ammonium IUPAC Name: 1-adamantyl-[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]azanium Traditional Name: 1-adamantyl-[(1S)-2-[4-(isopropylsulfamoyl)anilino]-2-keto-1-methyl-ethyl]ammonium Formula: C22H34N3O3S+ MolecularWeight: 420.58866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(C)C)[NH2+]C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H33N3O3S/c1-14(2)25-29(27,28)20-6-4-19(5-7-20)23-21(26)15(3)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h4-7,14-18,24-25H,8-13H2,1-3H3,(H,23,26)/p+1/t15-,16?,17?,18?,22?/m0/s1