3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]benzonitrile CAS Name: 3-[[4-(1-pyrrolidinylsulfonyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methyl]benzonitrile Traditional Name: 3-[(4-pyrrolidinosulfonylpiperazino)methyl]benzonitrile Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H22N4O2S/c17-13-15-4-3-5-16(12-15)14-18-8-10-20(11-9-18)23(21,22)19-6-1-2-7-19/h3-5,12H,1-2,6-11,14H2