azepan-1-ylsulfonyl-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: azepan-1-ylsulfonyl-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: azepan-1-ylsulfonyl-[2-(3,4-diethoxyanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1-azepanylsulfonyl-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylammonium IUPAC Name: azepan-1-ylsulfonyl-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium Traditional Name: azepan-1-ylsulfonyl-[2-(3,4-diethoxyanilino)-2-keto-ethyl]-methyl-ammonium Formula: C19H32N3O5S+ MolecularWeight: 414.53948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](C)S(=O)(=O)N2CCCCCC2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](C)S(=O)(=O)N2CCCCCC2)OCC

InChI

InChI=1S/C19H31N3O5S/c1-4-26-17-11-10-16(14-18(17)27-5-2)20-19(23)15-21(3)28(24,25)22-12-8-6-7-9-13-22/h10-11,14H,4-9,12-13,15H2,1-3H3,(H,20,23)/p+1