5,7-dimethyl-2-[4-(4-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]quinoline-3-carbonitrile

Systemtic Name: 5,7-dimethyl-2-[4-(4-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]quinoline-3-carbonitrile Openeye Name: 5,7-dimethyl-2-[4-(4-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]quinoline-3-carbonitrile CAS Name: 5,7-dimethyl-2-[4-(4-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]-3-quinolinecarbonitrile IUPAC Name: 5,7-dimethyl-2-[4-(4-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]quinoline-3-carbonitrile Traditional Name: 5,7-dimethyl-2-(4-nosyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile Formula: C23H23N5O4S MolecularWeight: 465.52482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=NC2=C1)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C23H23N5O4S/c1-16-12-17(2)21-14-18(15-24)23(25-22(21)13-16)26-8-3-9-27(11-10-26)33(31,32)20-6-4-19(5-7-20)28(29)30/h4-7,12-14H,3,8-11H2,1-2H3