1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[3-(4-methylphenyl)sulfonylindol-1-yl]ethanone

Systemtic Name: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[3-(4-methylphenyl)sulfonylindol-1-yl]ethanone Openeye Name: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[3-(p-tolylsulfonyl)indol-1-yl]ethanone CAS Name: 1-[4-(3-methoxyphenyl)-1-piperazinyl]-2-[3-(4-methylphenyl)sulfonyl-1-indolyl]ethanone IUPAC Name: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[3-(4-methylphenyl)sulfonylindol-1-yl]ethanone Traditional Name: 1-[4-(3-methoxyphenyl)piperazino]-2-(3-tosylindol-1-yl)ethanone Formula: C28H29N3O4S MolecularWeight: 503.61256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCN(CC4)C5=CC(=CC=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCN(CC4)C5=CC(=CC=C5)OC

InChI

InChI=1S/C28H29N3O4S/c1-21-10-12-24(13-11-21)36(33,34)27-19-31(26-9-4-3-8-25(26)27)20-28(32)30-16-14-29(15-17-30)22-6-5-7-23(18-22)35-2/h3-13,18-19H,14-17,20H2,1-2H3