2-[(5-bromanylthiophen-2-yl)methyl-prop-2-enyl-amino]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(5-bromanylthiophen-2-yl)methyl-prop-2-enyl-amino]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 2-[allyl-[(5-bromo-2-thienyl)methyl]amino]-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(5-bromo-2-thiophenyl)methyl-prop-2-enylamino]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]ethanone Traditional Name: 2-[allyl-[(5-bromo-2-thienyl)methyl]amino]-1-(4-besylpiperazino)ethanone Formula: C20H24BrN3O3S2 MolecularWeight: 498.45686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Br)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Br)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24BrN3O3S2/c1-2-10-22(15-17-8-9-19(21)28-17)16-20(25)23-11-13-24(14-12-23)29(26,27)18-6-4-3-5-7-18/h2-9H,1,10-16H2