3-[phenyl(prop-2-enyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide

Systemtic Name: 3-[phenyl(prop-2-enyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide Openeye Name: 3-[allyl(phenyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide CAS Name: 3-[phenyl(prop-2-enyl)sulfamoyl]-N-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 3-[phenyl(prop-2-enyl)sulfamoyl]-N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]benzamide Traditional Name: 3-[allyl(phenyl)sulfamoyl]-N-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]benzamide Formula: C26H29N4O3S+ MolecularWeight: 477.59846

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC(=[NH+]C=C3)N4CCCC4

Isomeric SMILES

C=CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC(=[NH+]C=C3)N4CCCC4

InChI

InChI=1S/C26H28N4O3S/c1-2-15-30(23-10-4-3-5-11-23)34(32,33)24-12-8-9-22(19-24)26(31)28-20-21-13-14-27-25(18-21)29-16-6-7-17-29/h2-5,8-14,18-19H,1,6-7,15-17,20H2,(H,28,31)/p+1