4-[2-(2,4-dimethoxy-5-pyrrolidin-1-yl-phenyl)prop-2-enoyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide

Systemtic Name: 4-[2-(2,4-dimethoxy-5-pyrrolidin-1-yl-phenyl)prop-2-enoyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide Openeye Name: 4-[2-(2,4-dimethoxy-5-pyrrolidin-1-yl-phenyl)prop-2-enoyl]-N-(2-pyridylmethyl)benzenesulfonamide CAS Name: 4-[2-[2,4-dimethoxy-5-(1-pyrrolidinyl)phenyl]-1-oxoprop-2-enyl]-N-(2-pyridinylmethyl)benzenesulfonamide IUPAC Name: 4-[2-(2,4-dimethoxy-5-pyrrolidin-1-ylphenyl)prop-2-enoyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide Traditional Name: 4-[2-(2,4-dimethoxy-5-pyrrolidino-phenyl)acryloyl]-N-(2-pyridylmethyl)benzenesulfonamide Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=C)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=N3)N4CCCC4)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=C)C(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=N3)N4CCCC4)OC

InChI

InChI=1S/C27H29N3O5S/c1-19(23-16-24(30-14-6-7-15-30)26(35-3)17-25(23)34-2)27(31)20-9-11-22(12-10-20)36(32,33)29-18-21-8-4-5-13-28-21/h4-5,8-13,16-17,29H,1,6-7,14-15,18H2,2-3H3