[3-(1-adamantylcarbamoylamino)-3-oxidanylidene-propyl]-methyl-[(1S)-1-(4-sulfamoylphenyl)ethyl]azanium

Systemtic Name: [3-(1-adamantylcarbamoylamino)-3-oxidanylidene-propyl]-methyl-[(1S)-1-(4-sulfamoylphenyl)ethyl]azanium Openeye Name: [3-(1-adamantylcarbamoylamino)-3-oxo-propyl]-methyl-[(1S)-1-(4-sulfamoylphenyl)ethyl]ammonium CAS Name: [3-[[(1-adamantylamino)-oxomethyl]amino]-3-oxopropyl]-methyl-[(1S)-1-(4-sulfamoylphenyl)ethyl]ammonium IUPAC Name: [3-(1-adamantylcarbamoylamino)-3-oxopropyl]-methyl-[(1S)-1-(4-sulfamoylphenyl)ethyl]azanium Traditional Name: [3-(1-adamantylcarbamoylamino)-3-keto-propyl]-methyl-[(1S)-1-(4-sulfamoylphenyl)ethyl]ammonium Formula: C23H35N4O4S+ MolecularWeight: 463.6134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)N)[NH+](C)CCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)S(=O)(=O)N)[NH+](C)CCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H34N4O4S/c1-15(19-3-5-20(6-4-19)32(24,30)31)27(2)8-7-21(28)25-22(29)26-23-12-16-9-17(13-23)11-18(10-16)14-23/h3-6,15-18H,7-14H2,1-2H3,(H2,24,30,31)(H2,25,26,28,29)/p+1/t15-,16?,17?,18?,23?/m0/s1