1-adamantylmethyl-[(2R)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]azanium

Systemtic Name: 1-adamantylmethyl-[(2R)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]azanium Openeye Name: 1-adamantylmethyl-[(1R)-1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl]ammonium CAS Name: 1-adamantylmethyl-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]ammonium IUPAC Name: 1-adamantylmethyl-[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]azanium Traditional Name: 1-adamantylmethyl-[(1R)-2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl]ammonium Formula: C20H30N3O3S+ MolecularWeight: 392.5355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3S/c1-13(19(24)23-17-2-4-18(5-3-17)27(21,25)26)22-12-20-9-14-6-15(10-20)8-16(7-14)11-20/h2-5,13-16,22H,6-12H2,1H3,(H,23,24)(H2,21,25,26)/p+1/t13-,14?,15?,16?,20?/m1/s1