1-(4-phenylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-ethanone

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-ethanone Openeye Name: 1-(4-phenylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-ethanone CAS Name: 1-(4-phenyl-1-piperazinyl)-2-[[4-(1-pyrrolidinylsulfonyl)phenyl]thio]ethanone IUPAC Name: 1-(4-phenylpiperazin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylphenyl)sulfanylethanone Traditional Name: 1-(4-phenylpiperazino)-2-[(4-pyrrolidinosulfonylphenyl)thio]ethanone Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3S2/c26-22(24-16-14-23(15-17-24)19-6-2-1-3-7-19)18-29-20-8-10-21(11-9-20)30(27,28)25-12-4-5-13-25/h1-3,6-11H,4-5,12-18H2