(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one Openeye Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-propen-1-one IUPAC Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one Formula: C24H28N2O3S MolecularWeight: 424.55572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H28N2O3S/c27-24(25-18-15-21-7-3-4-8-22(21)19-25)14-11-20-9-12-23(13-10-20)30(28,29)26-16-5-1-2-6-17-26/h3-4,7-14H,1-2,5-6,15-19H2/b14-11+