1-[4-ethanoyl-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]-2-(4-methylsulfonylphenyl)ethanone

Systemtic Name: 1-[4-ethanoyl-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]-2-(4-methylsulfonylphenyl)ethanone Openeye Name: 1-[4-acetyl-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]-2-(4-methylsulfonylphenyl)ethanone CAS Name: 1-[4-acetyl-3-(1-pyrrolidinylmethyl)-1-piperazinyl]-2-(4-methylsulfonylphenyl)ethanone IUPAC Name: 1-[4-acetyl-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]-2-(4-methylsulfonylphenyl)ethanone Traditional Name: 1-[4-acetyl-3-(pyrrolidinomethyl)piperazino]-2-(4-mesylphenyl)ethanone Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1CN2CCCC2)C(=O)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(=O)N1CCN(CC1CN2CCCC2)C(=O)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H29N3O4S/c1-16(24)23-12-11-22(15-18(23)14-21-9-3-4-10-21)20(25)13-17-5-7-19(8-6-17)28(2,26)27/h5-8,18H,3-4,9-15H2,1-2H3