[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-tert-butyl-azanium

Systemtic Name: [2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-tert-butyl-azanium Openeye Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]-tert-butyl-ammonium CAS Name: [2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethyl]-tert-butylammonium IUPAC Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-tert-butylazanium Traditional Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]-tert-butyl-ammonium Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O3S/c1-18(2,3)19-14-17(22)20-15-9-8-10-16(13-15)25(23,24)21-11-6-4-5-7-12-21/h8-10,13,19H,4-7,11-12,14H2,1-3H3,(H,20,22)/p+1