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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-chlorophenyl)prop-2-en-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-chlorophenyl)prop-2-en-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-(3-chlorophenyl)-2-propen-1-one IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-chlorophenyl)prop-2-en-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-chlorophenyl)prop-2-en-1-one Formula: C21H22ClNO3S MolecularWeight: 403.92228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H22ClNO3S/c22-19-7-5-6-17(16-19)8-13-21(24)18-9-11-20(12-10-18)27(25,26)23-14-3-1-2-4-15-23/h5-13,16H,1-4,14-15H2