2-(azocan-1-ium-1-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxy-phenyl)ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxy-phenyl)ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-(2-isopropoxy-5-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[5-(4-morpholinylsulfonyl)-2-propan-2-yloxyphenyl]acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-(2-isopropoxy-5-morpholinosulfonyl-phenyl)acetamide Formula: C22H36N3O5S+ MolecularWeight: 454.60334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH+]3CCCCCCC3

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH+]3CCCCCCC3

InChI

InChI=1S/C22H35N3O5S/c1-18(2)30-21-9-8-19(31(27,28)25-12-14-29-15-13-25)16-20(21)23-22(26)17-24-10-6-4-3-5-7-11-24/h8-9,16,18H,3-7,10-15,17H2,1-2H3,(H,23,26)/p+1