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

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(4-methoxy-3-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(4-methoxy-3-morpholinosulfonyl-phenyl)acetamide Formula: C19H30N3O5S+ MolecularWeight: 412.5236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCCCC2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCCCC2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H29N3O5S/c1-26-17-7-6-16(20-19(23)15-21-8-4-2-3-5-9-21)14-18(17)28(24,25)22-10-12-27-13-11-22/h6-7,14H,2-5,8-13,15H2,1H3,(H,20,23)/p+1