(E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2-ethoxyphenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2-ethoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2-ethoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1-azepanylsulfonyl)-1-piperazinyl]-3-(2-ethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(2-ethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(azepan-1-ylsulfonyl)piperazino]-3-o-phenetyl-prop-2-en-1-one Formula: C21H31N3O4S MolecularWeight: 421.55354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=CC(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1/C=C/C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H31N3O4S/c1-2-28-20-10-6-5-9-19(20)11-12-21(25)22-15-17-24(18-16-22)29(26,27)23-13-7-3-4-8-14-23/h5-6,9-12H,2-4,7-8,13-18H2,1H3/b12-11+