8-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-5-nitro-quinoline

Systemtic Name: 8-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-5-nitro-quinoline Openeye Name: 5-nitro-8-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]quinoline CAS Name: 8-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-5-nitroquinoline IUPAC Name: 8-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-5-nitroquinoline Traditional Name: 5-nitro-8-(4-tosyl-1,4-diazepan-1-yl)quinoline Formula: C21H22N4O4S MolecularWeight: 426.48878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

InChI

InChI=1S/C21H22N4O4S/c1-16-5-7-17(8-6-16)30(28,29)24-13-3-12-23(14-15-24)20-10-9-19(25(26)27)18-4-2-11-22-21(18)20/h2,4-11H,3,12-15H2,1H3