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

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1-thiophen-2-ylethyl)prop-2-enamide Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1-(2-thienyl)ethyl]prop-2-enamide CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-N-(1-thiophen-2-ylethyl)-2-propenamide IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(1-thiophen-2-ylethyl)prop-2-enamide Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[1-(2-thienyl)ethyl]acrylamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C1=CC=CS1)NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O3S2/c1-17(20-7-6-16-27-20)22-21(24)13-10-18-8-11-19(12-9-18)28(25,26)23-14-4-2-3-5-15-23/h6-13,16-17H,2-5,14-15H2,1H3,(H,22,24)/b13-10+