2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)-N-[3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)-N-(3-pyrrolidinosulfonylphenyl)acetamide Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[NH+]3CCC(=CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C[NH+]3CCC(=CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3S/c27-23(18-25-15-11-20(12-16-25)19-7-2-1-3-8-19)24-21-9-6-10-22(17-21)30(28,29)26-13-4-5-14-26/h1-3,6-11,17H,4-5,12-16,18H2,(H,24,27)/p+1