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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(thiophen-2-ylmethyl)prop-2-enamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-thienylmethyl)prop-2-enamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(thiophen-2-ylmethyl)-2-propenamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(thiophen-2-ylmethyl)prop-2-enamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-thenyl)acrylamide Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NCC3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NCC3=CC=CS3

InChI

InChI=1S/C20H24N2O3S2/c23-20(21-16-18-6-5-15-26-18)12-9-17-7-10-19(11-8-17)27(24,25)22-13-3-1-2-4-14-22/h5-12,15H,1-4,13-14,16H2,(H,21,23)