4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 3-nitro-4-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]benzonitrile CAS Name: 4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-nitrobenzonitrile IUPAC Name: 4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-nitrobenzonitrile Traditional Name: 3-nitro-4-(4-tosyl-1,4-diazepan-1-yl)benzonitrile Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S/c1-15-3-6-17(7-4-15)28(26,27)22-10-2-9-21(11-12-22)18-8-5-16(14-20)13-19(18)23(24)25/h3-8,13H,2,9-12H2,1H3