[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-bis(2-methoxyethyl)azanium

Systemtic Name: [2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-bis(2-methoxyethyl)azanium Openeye Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]-bis(2-methoxyethyl)ammonium CAS Name: [2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethyl]-bis(2-methoxyethyl)ammonium IUPAC Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-bis(2-methoxyethyl)azanium Traditional Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]-bis(2-methoxyethyl)ammonium Formula: C20H34N3O5S+ MolecularWeight: 428.56606

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+](CCOC)CC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

COCC[NH+](CCOC)CC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C20H33N3O5S/c1-27-14-12-22(13-15-28-2)17-20(24)21-18-8-7-9-19(16-18)29(25,26)23-10-5-3-4-6-11-23/h7-9,16H,3-6,10-15,17H2,1-2H3,(H,21,24)/p+1