cyclooctyl-[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: cyclooctyl-[2-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclooctyl-[2-[2-methyl-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]ammonium CAS Name: cyclooctyl-[2-[2-methyl-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]ammonium IUPAC Name: cyclooctyl-[2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: cyclooctyl-[2-keto-2-(2-methyl-5-piperidinosulfonyl-anilino)ethyl]ammonium Formula: C22H36N3O3S+ MolecularWeight: 422.60454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH2+]C3CCCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C[NH2+]C3CCCCCCC3

InChI

InChI=1S/C22H35N3O3S/c1-18-12-13-20(29(27,28)25-14-8-5-9-15-25)16-21(18)24-22(26)17-23-19-10-6-3-2-4-7-11-19/h12-13,16,19,23H,2-11,14-15,17H2,1H3,(H,24,26)/p+1