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

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-ethoxypropyl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-ethoxypropyl)prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-(3-ethoxypropyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-ethoxypropyl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-ethoxypropyl)acrylamide Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C=CC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCOCCCNC(=O)/C=C/C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C20H30N2O4S/c1-2-26-17-7-14-21-20(23)13-10-18-8-11-19(12-9-18)27(24,25)22-15-5-3-4-6-16-22/h8-13H,2-7,14-17H2,1H3,(H,21,23)/b13-10+