5-[4-[2-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)ethyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile

Systemtic Name: 5-[4-[2-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)ethyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile Openeye Name: 5-[4-[2-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)ethyl]piperazin-1-yl]-2-isopropyl-2-(2-thienyl)pentanenitrile CAS Name: 5-[4-[2-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)ethyl]-1-piperazinyl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)ethyl]piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile Traditional Name: 5-[4-[2-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)ethyl]piperazino]-2-isopropyl-2-(2-thienyl)valeronitrile Formula: C27H38N4O2S2 MolecularWeight: 514.74622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCS(=O)(=O)N2CCCC3=CC=CC=C32)(C#N)C4=CC=CS4

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCS(=O)(=O)N2CCCC3=CC=CC=C32)(C#N)C4=CC=CS4

InChI

InChI=1S/C27H38N4O2S2/c1-23(2)27(22-28,26-11-6-20-34-26)12-7-13-29-15-17-30(18-16-29)19-21-35(32,33)31-14-5-9-24-8-3-4-10-25(24)31/h3-4,6,8,10-11,20,23H,5,7,9,12-19,21H2,1-2H3