2-(azocan-1-ium-1-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-(4-methoxy-3-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-(4-methoxy-3-morpholinosulfonyl-phenyl)acetamide Formula: C20H32N3O5S+ MolecularWeight: 426.55018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCCCCC2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCCCCC2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H31N3O5S/c1-27-18-8-7-17(15-19(18)29(25,26)23-11-13-28-14-12-23)21-20(24)16-22-9-5-3-2-4-6-10-22/h7-8,15H,2-6,9-14,16H2,1H3,(H,21,24)/p+1