2-(azepan-1-ium-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H27N3O3S/c22-18(15-20-10-3-1-2-4-11-20)19-16-8-7-9-17(14-16)25(23,24)21-12-5-6-13-21/h7-9,14H,1-6,10-13,15H2,(H,19,22)/p+1