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

Systemtic Name: 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(4-nitrophenyl)piperazin-1-yl]-2-[3-(p-tolylsulfonyl)indol-1-yl]ethanone CAS Name: 2-[3-(4-methylphenyl)sulfonyl-1-indolyl]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(4-nitrophenyl)piperazino]-2-(3-tosylindol-1-yl)ethanone Formula: C27H26N4O5S MolecularWeight: 518.58414

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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=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O5S/c1-20-6-12-23(13-7-20)37(35,36)26-18-30(25-5-3-2-4-24(25)26)19-27(32)29-16-14-28(15-17-29)21-8-10-22(11-9-21)31(33)34/h2-13,18H,14-17,19H2,1H3