N-[5-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonyl-2-methoxy-phenyl]ethanamide

Systemtic Name: N-[5-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonyl-2-methoxy-phenyl]ethanamide Openeye Name: N-[5-[4-(benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonyl-2-methoxy-phenyl]acetamide CAS Name: N-[5-[[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]sulfonyl]-2-methoxyphenyl]acetamide IUPAC Name: N-[5-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]acetamide Traditional Name: N-[5-[4-(benzothiophen-3-ylmethyl)piperazino]sulfonyl-2-methoxy-phenyl]acetamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43)OC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43)OC

InChI

InChI=1S/C22H25N3O4S2/c1-16(26)23-20-13-18(7-8-21(20)29-2)31(27,28)25-11-9-24(10-12-25)14-17-15-30-22-6-4-3-5-19(17)22/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,26)