2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[3-[(4-chlorophenyl)methylsulfonyl]-1-indolyl]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[3-(4-chlorobenzyl)sulfonylindol-1-yl]-1-(4-phenylpiperazino)ethanone Formula: C27H26ClN3O3S MolecularWeight: 508.03164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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