2-oxidanylidene-4-(6-piperidin-1-ylhexanoyl)-3-propyl-1-(1H-pyrrolo[3,2-b]pyrrol-4-ylsulfonyl)cyclohexane-1-carbonitrile

Systemtic Name: 2-oxidanylidene-4-(6-piperidin-1-ylhexanoyl)-3-propyl-1-(1H-pyrrolo[3,2-b]pyrrol-4-ylsulfonyl)cyclohexane-1-carbonitrile Openeye Name: 2-oxo-4-[6-(1-piperidyl)hexanoyl]-3-propyl-1-(1H-pyrrolo[3,2-b]pyrrol-4-ylsulfonyl)cyclohexanecarbonitrile CAS Name: 2-oxo-4-[1-oxo-6-(1-piperidinyl)hexyl]-3-propyl-1-(1H-pyrrolo[3,2-b]pyrrol-4-ylsulfonyl)-1-cyclohexanecarbonitrile IUPAC Name: 2-oxo-4-(6-piperidin-1-ylhexanoyl)-3-propyl-1-(1H-pyrrolo[3,2-b]pyrrol-4-ylsulfonyl)cyclohexane-1-carbonitrile Traditional Name: 2-keto-4-(6-piperidinohexanoyl)-3-propyl-1-(1H-pyrrolo[3,2-b]pyrrol-4-ylsulfonyl)cyclohexanecarbonitrile Formula: C27H38N4O4S MolecularWeight: 514.68002

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(CCC(C1=O)(C#N)S(=O)(=O)N2C=CC3=C2C=CN3)C(=O)CCCCCN4CCCCC4

Isomeric SMILES

CCCC1C(CCC(C1=O)(C#N)S(=O)(=O)N2C=CC3=C2C=CN3)C(=O)CCCCCN4CCCCC4

InChI

InChI=1S/C27H38N4O4S/c1-2-9-22-21(25(32)10-5-3-6-16-30-17-7-4-8-18-30)11-14-27(20-28,26(22)33)36(34,35)31-19-13-23-24(31)12-15-29-23/h12-13,15,19,21-22,29H,2-11,14,16-18H2,1H3