1-adamantyl-[(2R)-1-[[3-(dimethylsulfamoyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 1-adamantyl-[(2R)-1-[[3-(dimethylsulfamoyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1-adamantyl-[(1R)-2-[3-(dimethylsulfamoyl)anilino]-1-methyl-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]ammonium IUPAC Name: 1-adamantyl-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]azanium Traditional Name: 1-adamantyl-[(1R)-2-[3-(dimethylsulfamoyl)anilino]-2-keto-1-methyl-ethyl]ammonium Formula: C21H32N3O3S+ MolecularWeight: 406.56208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3S/c1-14(23-21-11-15-7-16(12-21)9-17(8-15)13-21)20(25)22-18-5-4-6-19(10-18)28(26,27)24(2)3/h4-6,10,14-17,23H,7-9,11-13H2,1-3H3,(H,22,25)/p+1/t14-,15?,16?,17?,21?/m1/s1