4-azanyl-3-[3,4-bis(oxidanyl)phenyl]-5-prop-2-enoyl-2-pyridin-3-yl-benzenesulfonamide

Systemtic Name: 4-azanyl-3-[3,4-bis(oxidanyl)phenyl]-5-prop-2-enoyl-2-pyridin-3-yl-benzenesulfonamide Openeye Name: 4-amino-3-(3,4-dihydroxyphenyl)-5-prop-2-enoyl-2-(3-pyridyl)benzenesulfonamide CAS Name: 4-amino-3-(3,4-dihydroxyphenyl)-5-(1-oxoprop-2-enyl)-2-(3-pyridinyl)benzenesulfonamide IUPAC Name: 4-amino-3-(3,4-dihydroxyphenyl)-5-prop-2-enoyl-2-pyridin-3-ylbenzenesulfonamide Traditional Name: 5-acryloyl-4-amino-3-(3,4-dihydroxyphenyl)-2-(3-pyridyl)benzenesulfonamide Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)C1=CC(=C(C(=C1N)C2=CC(=C(C=C2)O)O)C3=CN=CC=C3)S(=O)(=O)N

Isomeric SMILES

C=CC(=O)C1=CC(=C(C(=C1N)C2=CC(=C(C=C2)O)O)C3=CN=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C20H17N3O5S/c1-2-14(24)13-9-17(29(22,27)28)18(12-4-3-7-23-10-12)19(20(13)21)11-5-6-15(25)16(26)8-11/h2-10,25-26H,1,21H2,(H2,22,27,28)