2-[2-azanyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]-3H-benzimidazole-5-sulfonamide

Systemtic Name: 2-[2-azanyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]-3H-benzimidazole-5-sulfonamide Openeye Name: 2-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridyl]-3H-benzimidazole-5-sulfonamide CAS Name: 2-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-3H-benzimidazole-5-sulfonamide IUPAC Name: 2-[2-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]-3H-benzimidazole-5-sulfonamide Traditional Name: 2-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridyl]-3H-benzimidazole-5-sulfonamide Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=CC(=C(N=C2)N)C3=NC4=C(N3)C=C(C=C4)S(=O)(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=CC(=C(N=C2)N)C3=NC4=C(N3)C=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C21H21N5O5S/c1-29-17-7-11(8-18(30-2)19(17)31-3)12-6-14(20(22)24-10-12)21-25-15-5-4-13(32(23,27)28)9-16(15)26-21/h4-10H,1-3H3,(H2,22,24)(H,25,26)(H2,23,27,28)