4-[[5-oxidanylidene-1-(6-piperidin-1-ylhexanoyl)-6-propyl-6,6a-dihydro-3aH-pyrrolo[3,2-b]pyrrol-4-yl]sulfonyl]benzenecarbonitrile

Systemtic Name: 4-[[5-oxidanylidene-1-(6-piperidin-1-ylhexanoyl)-6-propyl-6,6a-dihydro-3aH-pyrrolo[3,2-b]pyrrol-4-yl]sulfonyl]benzenecarbonitrile Openeye Name: 4-[[5-oxo-1-[6-(1-piperidyl)hexanoyl]-6-propyl-6,6a-dihydro-3aH-pyrrolo[3,2-b]pyrrol-4-yl]sulfonyl]benzonitrile CAS Name: 4-[[5-oxo-1-[1-oxo-6-(1-piperidinyl)hexyl]-6-propyl-6,6a-dihydro-3aH-pyrrolo[3,2-b]pyrrol-4-yl]sulfonyl]benzonitrile IUPAC Name: 4-[[5-oxo-1-(6-piperidin-1-ylhexanoyl)-6-propyl-6,6a-dihydro-3aH-pyrrolo[3,2-b]pyrrol-4-yl]sulfonyl]benzonitrile Traditional Name: 4-[[5-keto-1-(6-piperidinohexanoyl)-6-propyl-6,6a-dihydro-3aH-pyrrolo[3,2-b]pyrrol-4-yl]sulfonyl]benzonitrile Formula: C27H36N4O4S MolecularWeight: 512.66414

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2C(C=CN2C(=O)CCCCCN3CCCCC3)N(C1=O)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCCC1C2C(C=CN2C(=O)CCCCCN3CCCCC3)N(C1=O)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H36N4O4S/c1-2-9-23-26-24(31(27(23)33)36(34,35)22-13-11-21(20-28)12-14-22)15-19-30(26)25(32)10-5-3-6-16-29-17-7-4-8-18-29/h11-15,19,23-24,26H,2-10,16-18H2,1H3