4-[[(3-methoxyphenyl)sulfonylamino]methyl]-N-pyridin-1-ium-3-yl-benzamide

Systemtic Name: 4-[[(3-methoxyphenyl)sulfonylamino]methyl]-N-pyridin-1-ium-3-yl-benzamide Openeye Name: 4-[[(3-methoxyphenyl)sulfonylamino]methyl]-N-pyridin-1-ium-3-yl-benzamide CAS Name: 4-[[(3-methoxyphenyl)sulfonylamino]methyl]-N-(3-pyridin-1-iumyl)benzamide IUPAC Name: 4-[[(3-methoxyphenyl)sulfonylamino]methyl]-N-pyridin-1-ium-3-ylbenzamide Traditional Name: 4-[[(3-methoxyphenyl)sulfonylamino]methyl]-N-pyridin-1-ium-3-yl-benzamide Formula: C20H20N3O4S+ MolecularWeight: 398.4555

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NC3=C[NH+]=CC=C3

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NC3=C[NH+]=CC=C3

InChI

InChI=1S/C20H19N3O4S/c1-27-18-5-2-6-19(12-18)28(25,26)22-13-15-7-9-16(10-8-15)20(24)23-17-4-3-11-21-14-17/h2-12,14,22H,13H2,1H3,(H,23,24)/p+1