2-[4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(4-tosyl-1,4-diazepan-1-yl)methyl]phenyl]benzonitrile Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C26H27N3O2S/c1-21-7-13-25(14-8-21)32(30,31)29-16-4-15-28(17-18-29)20-22-9-11-23(12-10-22)26-6-3-2-5-24(26)19-27/h2-3,5-14H,4,15-18,20H2,1H3