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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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