(3-methyl-4-nitro-phenyl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-methyl-4-nitro-phenyl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3-methyl-4-nitro-phenyl)-[4-[(3-methyl-8-quinolyl)sulfonyl]piperazin-1-yl]methanone CAS Name: (3-methyl-4-nitrophenyl)-[4-[(3-methyl-8-quinolinyl)sulfonyl]-1-piperazinyl]methanone IUPAC Name: (3-methyl-4-nitrophenyl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3-methyl-4-nitro-phenyl)-[4-[(3-methyl-8-quinolyl)sulfonyl]piperazino]methanone Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O5S/c1-15-12-17-4-3-5-20(21(17)23-14-15)32(30,31)25-10-8-24(9-11-25)22(27)18-6-7-19(26(28)29)16(2)13-18/h3-7,12-14H,8-11H2,1-2H3