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

Systemtic Name: 1-adamantylmethyl-[(2S)-1-oxidanylidene-1-[[4-(propan-2-ylsulfamoyl)phenyl]amino]propan-2-yl]azanium Openeye Name: 1-adamantylmethyl-[(1S)-2-[4-(isopropylsulfamoyl)anilino]-1-methyl-2-oxo-ethyl]ammonium CAS Name: 1-adamantylmethyl-[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]ammonium IUPAC Name: 1-adamantylmethyl-[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]azanium Traditional Name: 1-adamantylmethyl-[(1S)-2-[4-(isopropylsulfamoyl)anilino]-2-keto-1-methyl-ethyl]ammonium Formula: C23H36N3O3S+ MolecularWeight: 434.61524

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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+]CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(C)C)[NH2+]CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H35N3O3S/c1-15(2)26-30(28,29)21-6-4-20(5-7-21)25-22(27)16(3)24-14-23-11-17-8-18(12-23)10-19(9-17)13-23/h4-7,15-19,24,26H,8-14H2,1-3H3,(H,25,27)/p+1/t16-,17?,18?,19?,23?/m0/s1