cyclooctyl-[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]azanium

Systemtic Name: cyclooctyl-[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]azanium Openeye Name: cyclooctyl-[2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl]ammonium CAS Name: cyclooctyl-[2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: cyclooctyl-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: cyclooctyl-[2-keto-2-(3-piperidinosulfonylanilino)ethyl]ammonium Formula: C21H34N3O3S+ MolecularWeight: 408.57796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH2+]CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C1CCCC(CCC1)[NH2+]CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H33N3O3S/c25-21(17-22-18-10-5-2-1-3-6-11-18)23-19-12-9-13-20(16-19)28(26,27)24-14-7-4-8-15-24/h9,12-13,16,18,22H,1-8,10-11,14-15,17H2,(H,23,25)/p+1