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

Systemtic Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]ethanone Openeye Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-(m-tolylmethylsulfonyl)indol-1-yl]ethanone CAS Name: 1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-[3-[(3-methylphenyl)methylsulfonyl]-1-indolyl]ethanone IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]ethanone Traditional Name: 1-[4-(2-methoxyphenyl)piperazino]-2-[3-(3-methylbenzyl)sulfonylindol-1-yl]ethanone Formula: C29H31N3O4S MolecularWeight: 517.63914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C29H31N3O4S/c1-22-8-7-9-23(18-22)21-37(34,35)28-19-32(25-11-4-3-10-24(25)28)20-29(33)31-16-14-30(15-17-31)26-12-5-6-13-27(26)36-2/h3-13,18-19H,14-17,20-21H2,1-2H3