1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-butoxy-3-ethoxy-phenyl)prop-2-en-1-one

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-butoxy-3-ethoxy-phenyl)prop-2-en-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-butoxy-3-ethoxy-phenyl)prop-2-en-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-(4-butoxy-3-ethoxyphenyl)-2-propen-1-one IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-butoxy-3-ethoxyphenyl)prop-2-en-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-butoxy-3-ethoxy-phenyl)prop-2-en-1-one Formula: C27H35NO5S MolecularWeight: 485.6355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OCC

InChI

InChI=1S/C27H35NO5S/c1-3-5-20-33-26-17-11-22(21-27(26)32-4-2)10-16-25(29)23-12-14-24(15-13-23)34(30,31)28-18-8-6-7-9-19-28/h10-17,21H,3-9,18-20H2,1-2H3