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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-en-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-isopropylphenyl)prop-2-en-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-(4-propan-2-ylphenyl)-2-propen-1-one IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-propan-2-ylphenyl)prop-2-en-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-p-cumenyl-prop-2-en-1-one Formula: C24H29NO3S MolecularWeight: 411.55696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO3S/c1-19(2)21-10-7-20(8-11-21)9-16-24(26)22-12-14-23(15-13-22)29(27,28)25-17-5-3-4-6-18-25/h7-16,19H,3-6,17-18H2,1-2H3