2-(4-nitrophenyl)-1-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]ethanone

Systemtic Name: 2-(4-nitrophenyl)-1-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]ethanone Openeye Name: 2-(4-nitrophenyl)-1-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]ethanone CAS Name: 2-(4-nitrophenyl)-1-[3-(1-pyrrolidinylmethyl)-4-thiomorpholinyl]ethanone IUPAC Name: 2-(4-nitrophenyl)-1-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]ethanone Traditional Name: 2-(4-nitrophenyl)-1-[3-(pyrrolidinomethyl)thiomorpholin-4-yl]ethanone Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2CSCCN2C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC2CSCCN2C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O3S/c21-17(11-14-3-5-15(6-4-14)20(22)23)19-9-10-24-13-16(19)12-18-7-1-2-8-18/h3-6,16H,1-2,7-13H2