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

Systemtic Name: 4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzenecarbonitrile Openeye Name: 4-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]sulfonyl]benzonitrile CAS Name: 4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzonitrile IUPAC Name: 4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]benzonitrile Traditional Name: 4-[(4-tosyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S2/c1-16-3-7-18(8-4-16)27(23,24)21-11-2-12-22(14-13-21)28(25,26)19-9-5-17(15-20)6-10-19/h3-10H,2,11-14H2,1H3