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

Systemtic Name: cyclooctyl-[(2S)-1-oxidanylidene-1-[[4-(propan-2-ylsulfamoyl)phenyl]amino]propan-2-yl]azanium Openeye Name: cyclooctyl-[(1S)-2-[4-(isopropylsulfamoyl)anilino]-1-methyl-2-oxo-ethyl]ammonium CAS Name: cyclooctyl-[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]ammonium IUPAC Name: cyclooctyl-[(2S)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]azanium Traditional Name: cyclooctyl-[(1S)-2-[4-(isopropylsulfamoyl)anilino]-2-keto-1-methyl-ethyl]ammonium Formula: C20H34N3O3S+ MolecularWeight: 396.56726

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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+]C2CCCCCCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(C)C)[NH2+]C2CCCCCCC2

InChI

InChI=1S/C20H33N3O3S/c1-15(2)23-27(25,26)19-13-11-18(12-14-19)22-20(24)16(3)21-17-9-7-5-4-6-8-10-17/h11-17,21,23H,4-10H2,1-3H3,(H,22,24)/p+1/t16-/m0/s1