[2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-(2-methylbutan-2-yl)azanium

Systemtic Name: [2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-(2-methylbutan-2-yl)azanium Openeye Name: 1,1-dimethylpropyl-[2-[2-methoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]ammonium CAS Name: [2-[2-methoxy-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-(2-methylbutan-2-yl)ammonium IUPAC Name: [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]-(2-methylbutan-2-yl)azanium Traditional Name: tert-amyl-[2-keto-2-(2-methoxy-5-piperidinosulfonyl-anilino)ethyl]ammonium Formula: C19H32N3O4S+ MolecularWeight: 398.54008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)[NH2+]CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC

Isomeric SMILES

CCC(C)(C)[NH2+]CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC

InChI

InChI=1S/C19H31N3O4S/c1-5-19(2,3)20-14-18(23)21-16-13-15(9-10-17(16)26-4)27(24,25)22-11-7-6-8-12-22/h9-10,13,20H,5-8,11-12,14H2,1-4H3,(H,21,23)/p+1