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

Systemtic Name: 7-methyl-2-[4-(4-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]quinoline-3-carbonitrile Openeye Name: 7-methyl-2-[4-(4-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]quinoline-3-carbonitrile CAS Name: 7-methyl-2-[4-(4-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]-3-quinolinecarbonitrile IUPAC Name: 7-methyl-2-[4-(4-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]quinoline-3-carbonitrile Traditional Name: 7-methyl-2-(4-nosyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C22H21N5O4S/c1-16-3-4-17-14-18(15-23)22(24-21(17)13-16)25-9-2-10-26(12-11-25)32(30,31)20-7-5-19(6-8-20)27(28)29/h3-8,13-14H,2,9-12H2,1H3