2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)ethanamide Openeye Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)acetamide CAS Name: 2-[4-(1-azepanylsulfonyl)phenoxy]-N-[2-(4-morpholin-4-iumyl)ethyl]acetamide IUPAC Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)acetamide Traditional Name: 2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)acetamide Formula: C20H32N3O5S+ MolecularWeight: 426.55018

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C20H31N3O5S/c24-20(21-9-12-22-13-15-27-16-14-22)17-28-18-5-7-19(8-6-18)29(25,26)23-10-3-1-2-4-11-23/h5-8H,1-4,9-17H2,(H,21,24)/p+1