1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[3-(phenylmethyl)sulfonylindol-1-yl]ethanone

Systemtic Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[3-(phenylmethyl)sulfonylindol-1-yl]ethanone Openeye Name: 2-(3-benzylsulfonylindol-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-2-[3-(phenylmethyl)sulfonyl-1-indolyl]ethanone IUPAC Name: 2-(3-benzylsulfonylindol-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(3-benzylsulfonylindol-1-yl)-1-[4-(3-chlorophenyl)piperazino]ethanone Formula: C27H26ClN3O3S MolecularWeight: 508.03164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CN3C=C(C4=CC=CC=C43)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CN3C=C(C4=CC=CC=C43)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H26ClN3O3S/c28-22-9-6-10-23(17-22)29-13-15-30(16-14-29)27(32)19-31-18-26(24-11-4-5-12-25(24)31)35(33,34)20-21-7-2-1-3-8-21/h1-12,17-18H,13-16,19-20H2