2-[2-[4-[2-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)ethyl]piperazin-1-yl]ethyl]-3-methyl-2-thiophen-2-yl-butanenitrile

Systemtic Name: 2-[2-[4-[2-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)ethyl]piperazin-1-yl]ethyl]-3-methyl-2-thiophen-2-yl-butanenitrile Openeye Name: 2-[2-[4-[2-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)ethyl]piperazin-1-yl]ethyl]-3-methyl-2-(2-thienyl)butanenitrile CAS Name: 2-[2-[4-[2-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)ethyl]-1-piperazinyl]ethyl]-3-methyl-2-thiophen-2-ylbutanenitrile IUPAC Name: 2-[2-[4-[2-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)ethyl]piperazin-1-yl]ethyl]-3-methyl-2-thiophen-2-ylbutanenitrile Traditional Name: 2-[2-[4-[2-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)ethyl]piperazino]ethyl]-3-methyl-2-(2-thienyl)butyronitrile Formula: C26H36N4O2S2 MolecularWeight: 500.71964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCN1CCN(CC1)CCS(=O)(=O)N2CCCC3=CC=CC=C32)(C#N)C4=CC=CS4

Isomeric SMILES

CC(C)C(CCN1CCN(CC1)CCS(=O)(=O)N2CCCC3=CC=CC=C32)(C#N)C4=CC=CS4

InChI

InChI=1S/C26H36N4O2S2/c1-22(2)26(21-27,25-10-6-19-33-25)11-13-28-14-16-29(17-15-28)18-20-34(31,32)30-12-5-8-23-7-3-4-9-24(23)30/h3-4,6-7,9-10,19,22H,5,8,11-18,20H2,1-2H3