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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)NCCC3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)NCCC3=CSC=C3

InChI

InChI=1S/C21H26N2O3S2/c24-21(22-13-11-19-12-16-27-17-19)10-7-18-5-8-20(9-6-18)28(25,26)23-14-3-1-2-4-15-23/h5-10,12,16-17H,1-4,11,13-15H2,(H,22,24)/b10-7+