2-(4-isocyanothiophen-2-yl)-5-[4-[2-(4-methylsulfonylphenoxy)ethyl]piperazin-1-yl]-2-propan-2-yl-pentanenitrile

Systemtic Name: 2-(4-isocyanothiophen-2-yl)-5-[4-[2-(4-methylsulfonylphenoxy)ethyl]piperazin-1-yl]-2-propan-2-yl-pentanenitrile Openeye Name: 2-(4-isocyano-2-thienyl)-2-isopropyl-5-[4-[2-(4-methylsulfonylphenoxy)ethyl]piperazin-1-yl]pentanenitrile CAS Name: 2-(4-isocyano-2-thiophenyl)-5-[4-[2-(4-methylsulfonylphenoxy)ethyl]-1-piperazinyl]-2-propan-2-ylpentanenitrile IUPAC Name: 2-(4-isocyanothiophen-2-yl)-5-[4-[2-(4-methylsulfonylphenoxy)ethyl]piperazin-1-yl]-2-propan-2-ylpentanenitrile Traditional Name: 2-(4-isocyano-2-thienyl)-2-isopropyl-5-[4-[2-(4-mesylphenoxy)ethyl]piperazino]valeronitrile Formula: C26H34N4O3S2 MolecularWeight: 514.70316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=C(C=C2)S(=O)(=O)C)(C#N)C3=CC(=CS3)[N+]#[C-]

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC=C(C=C2)S(=O)(=O)C)(C#N)C3=CC(=CS3)[N+]#[C-]

InChI

InChI=1S/C26H34N4O3S2/c1-21(2)26(20-27,25-18-22(28-3)19-34-25)10-5-11-29-12-14-30(15-13-29)16-17-33-23-6-8-24(9-7-23)35(4,31)32/h6-9,18-19,21H,5,10-17H2,1-2,4H3