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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3S/c18-13-15-4-6-17(7-5-15)24(21,22)20-9-2-8-19(10-11-20)14-16-3-1-12-23-16/h4-7,16H,1-3,8-12,14H2