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

Systemtic Name: 4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzenecarbonitrile Openeye Name: 4-[[4-(p-tolylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile CAS Name: 4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzonitrile IUPAC Name: 4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzonitrile Traditional Name: 4-[[4-(4-methylbenzyl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H23N3O2S/c1-17-3-5-19(6-4-17)16-22-11-2-12-23(14-13-22)26(24,25)20-9-7-18(15-21)8-10-20/h3-10H,2,11-14,16H2,1H3