2-(azocan-1-ium-1-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)acetamide Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCCCCC2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCCCCC2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H33N3O4S/c1-2-28-19-11-10-18(16-20(19)29(26,27)24-14-8-9-15-24)22-21(25)17-23-12-6-4-3-5-7-13-23/h10-11,16H,2-9,12-15,17H2,1H3,(H,22,25)/p+1