[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-(2-methylbutan-2-yl)azanium

Systemtic Name: [2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-(2-methylbutan-2-yl)azanium Openeye Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]-(1,1-dimethylpropyl)ammonium CAS Name: [2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethyl]-(2-methylbutan-2-yl)ammonium IUPAC Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-(2-methylbutan-2-yl)azanium Traditional Name: tert-amyl-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]ammonium Formula: C19H32N3O3S+ MolecularWeight: 382.54068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)[NH2+]CC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCC(C)(C)[NH2+]CC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C19H31N3O3S/c1-4-19(2,3)20-15-18(23)21-16-10-9-11-17(14-16)26(24,25)22-12-7-5-6-8-13-22/h9-11,14,20H,4-8,12-13,15H2,1-3H3,(H,21,23)/p+1