(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-pyridylmethyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-(3-pyridinylmethyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-pyridylmethyl)acrylamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C21H25N3O3S/c25-21(23-17-19-6-5-13-22-16-19)12-9-18-7-10-20(11-8-18)28(26,27)24-14-3-1-2-4-15-24/h5-13,16H,1-4,14-15,17H2,(H,23,25)/b12-9+