4-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-[(3-methyl-8-quinolyl)sulfonyl]piperazin-1-yl]-3-nitro-benzonitrile CAS Name: 4-[4-[(3-methyl-8-quinolinyl)sulfonyl]-1-piperazinyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[4-[(3-methyl-8-quinolyl)sulfonyl]piperazino]-3-nitro-benzonitrile Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)C4=C(C=C(C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)C4=C(C=C(C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O4S/c1-15-11-17-3-2-4-20(21(17)23-14-15)31(29,30)25-9-7-24(8-10-25)18-6-5-16(13-22)12-19(18)26(27)28/h2-6,11-12,14H,7-10H2,1H3