4-azanyl-3-(3,4-dimethoxyphenyl)-5-prop-2-enoyl-2-pyridin-3-yl-benzenesulfonamide

Systemtic Name: 4-azanyl-3-(3,4-dimethoxyphenyl)-5-prop-2-enoyl-2-pyridin-3-yl-benzenesulfonamide Openeye Name: 4-amino-3-(3,4-dimethoxyphenyl)-5-prop-2-enoyl-2-(3-pyridyl)benzenesulfonamide CAS Name: 4-amino-3-(3,4-dimethoxyphenyl)-5-(1-oxoprop-2-enyl)-2-(3-pyridinyl)benzenesulfonamide IUPAC Name: 4-amino-3-(3,4-dimethoxyphenyl)-5-prop-2-enoyl-2-pyridin-3-ylbenzenesulfonamide Traditional Name: 5-acryloyl-4-amino-3-(3,4-dimethoxyphenyl)-2-(3-pyridyl)benzenesulfonamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=CC(=C2C3=CN=CC=C3)S(=O)(=O)N)C(=O)C=C)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=CC(=C2C3=CN=CC=C3)S(=O)(=O)N)C(=O)C=C)N)OC

InChI

InChI=1S/C22H21N3O5S/c1-4-16(26)15-11-19(31(24,27)28)20(14-6-5-9-25-12-14)21(22(15)23)13-7-8-17(29-2)18(10-13)30-3/h4-12H,1,23H2,2-3H3,(H2,24,27,28)