N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-pyrrolidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C18H27ClN3O3S+ MolecularWeight: 400.94328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[NH+]3CCCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C[NH+]3CCCC3

InChI

InChI=1S/C18H26ClN3O3S/c19-16-8-7-15(26(24,25)22-11-3-1-2-4-12-22)13-17(16)20-18(23)14-21-9-5-6-10-21/h7-8,13H,1-6,9-12,14H2,(H,20,23)/p+1