(2,6-dimethylquinolin-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2,6-dimethylquinolin-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2,6-dimethyl-3-quinolyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (2,6-dimethyl-3-quinolinyl)-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2,6-dimethylquinolin-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (2,6-dimethyl-3-quinolyl)-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

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