2-[4-(1-pyrrolidin-1-ylcarbonylpiperidin-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(1-pyrrolidin-1-ylcarbonylpiperidin-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo-[1-[oxo(1-pyrrolidinyl)methyl]-3-piperidinyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[1-(pyrrolidine-1-carbonyl)nipecotoyl]piperazino]sulfonylbenzonitrile Formula: C22H29N5O4S MolecularWeight: 459.56176

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)N2CCCC(C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CCN(C1)C(=O)N2CCCC(C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H29N5O4S/c23-16-18-6-1-2-8-20(18)32(30,31)27-14-12-24(13-15-27)21(28)19-7-5-11-26(17-19)22(29)25-9-3-4-10-25/h1-2,6,8,19H,3-5,7,9-15,17H2