2-[4-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[2,5-dimethyl-1-(tetrahydrofuran-2-ylmethyl)pyrrol-3-yl]-2-oxo-ethyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[2,5-dimethyl-1-(tetrahydrofurfuryl)pyrrol-3-yl]-2-keto-ethyl]piperazino]sulfonylbenzonitrile Formula: C24H30N4O4S MolecularWeight: 470.5844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2CCCO2)C)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC(=C(N1CC2CCCO2)C)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C24H30N4O4S/c1-18-14-22(19(2)28(18)16-21-7-5-13-32-21)23(29)17-26-9-11-27(12-10-26)33(30,31)24-8-4-3-6-20(24)15-25/h3-4,6,8,14,21H,5,7,9-13,16-17H2,1-2H3