4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzenecarbonitrile

Systemtic Name: 4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzenecarbonitrile Openeye Name: 4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile CAS Name: 4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile IUPAC Name: 4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile Traditional Name: 4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CN1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H17N3O2S/c1-15-7-2-8-16(10-9-15)19(17,18)13-5-3-12(11-14)4-6-13/h3-6H,2,7-10H2,1H3