N-[3-(azepan-1-ylsulfonyl)phenyl]-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-morpholin-4-ium-4-yl-acetamide Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4S/c22-18(15-20-10-12-25-13-11-20)19-16-6-5-7-17(14-16)26(23,24)21-8-3-1-2-4-9-21/h5-7,14H,1-4,8-13,15H2,(H,19,22)/p+1