3-[[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzenecarbonitrile Openeye Name: 3-[[4-(tetrahydrofuran-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile CAS Name: 3-[[4-(2-oxolanylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile IUPAC Name: 3-[[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile Traditional Name: 3-[[4-(tetrahydrofurfuryl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile Formula: C17H23N3O3S MolecularWeight: 349.44782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2CCCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CC(OC1)CN2CCCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H23N3O3S/c18-13-15-4-1-6-17(12-15)24(21,22)20-8-3-7-19(9-10-20)14-16-5-2-11-23-16/h1,4,6,12,16H,2-3,5,7-11,14H2