imidazo[1,2-a]pyridin-2-ylmethyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: imidazo[1,2-a]pyridin-2-ylmethyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: imidazo[1,2-a]pyridin-2-ylmethyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid 2-imidazo[1,2-a]pyridinylmethyl ester IUPAC Name: imidazo[1,2-a]pyridin-2-ylmethyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid imidazo[1,2-a]pyridin-2-ylmethyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC3=CN4C=CC=CC4=N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)OCC3=CN4C=CC=CC4=N3

InChI

InChI=1S/C23H25N3O4S/c27-23(30-18-20-17-25-14-6-3-7-22(25)24-20)13-10-19-8-11-21(12-9-19)31(28,29)26-15-4-1-2-5-16-26/h3,6-14,17H,1-2,4-5,15-16,18H2/b13-10+