2-[4-[2-(4-cyclopropylcarbonylpiperazin-1-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(4-cyclopropylcarbonylpiperazin-1-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[4-(cyclopropanecarbonyl)piperazino]acetyl]piperazino]sulfonylbenzonitrile Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H27N5O4S/c22-15-18-3-1-2-4-19(18)31(29,30)26-13-11-24(12-14-26)20(27)16-23-7-9-25(10-8-23)21(28)17-5-6-17/h1-4,17H,5-14,16H2