cyclooctyl-[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl]azanium

Systemtic Name: cyclooctyl-[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl]azanium Openeye Name: cyclooctyl-[2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl]ammonium CAS Name: cyclooctyl-[2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl]ammonium IUPAC Name: cyclooctyl-[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl]azanium Traditional Name: cyclooctyl-[2-keto-2-(4-piperidinosulfonylanilino)ethyl]ammonium Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3S/c25-21(17-22-18-9-5-2-1-3-6-10-18)23-19-11-13-20(14-12-19)28(26,27)24-15-7-4-8-16-24/h11-14,18,22H,1-10,15-17H2,(H,23,25)/p+1