2-(azepan-1-ium-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(2-methyl-5-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[2-methyl-5-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(2-methyl-5-morpholinosulfonyl-phenyl)acetamide Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH+]3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C19H29N3O4S/c1-16-6-7-17(27(24,25)22-10-12-26-13-11-22)14-18(16)20-19(23)15-21-8-4-2-3-5-9-21/h6-7,14H,2-5,8-13,15H2,1H3,(H,20,23)/p+1