4-[(E)-3-(2,4-dimethoxy-5-pyrrolidin-1-yl-phenyl)prop-2-enoyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide

Systemtic Name: 4-[(E)-3-(2,4-dimethoxy-5-pyrrolidin-1-yl-phenyl)prop-2-enoyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide Openeye Name: 4-[(E)-3-(2,4-dimethoxy-5-pyrrolidin-1-yl-phenyl)prop-2-enoyl]-N-(2-pyridylmethyl)benzenesulfonamide CAS Name: 4-[(E)-3-[2,4-dimethoxy-5-(1-pyrrolidinyl)phenyl]-1-oxoprop-2-enyl]-N-(2-pyridinylmethyl)benzenesulfonamide IUPAC Name: 4-[(E)-3-(2,4-dimethoxy-5-pyrrolidin-1-ylphenyl)prop-2-enoyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide Traditional Name: 4-[(E)-3-(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=CC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=N3)N4CCCC4)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=N3)N4CCCC4)OC

InChI

InChI=1S/C27H29N3O5S/c1-34-26-18-27(35-2)24(30-15-5-6-16-30)17-21(26)10-13-25(31)20-8-11-23(12-9-20)36(32,33)29-19-22-7-3-4-14-28-22/h3-4,7-14,17-18,29H,5-6,15-16,19H2,1-2H3/b13-10+