2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 5-nitro-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]benzonitrile CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-5-nitrobenzonitrile Traditional Name: 5-nitro-2-(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)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

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