3-methyl-8-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]sulfonyl-quinoline

Systemtic Name: 3-methyl-8-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]sulfonyl-quinoline Openeye Name: 3-methyl-8-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]sulfonyl-quinoline CAS Name: 3-methyl-8-[[4-[(2-nitrophenyl)methyl]-1-piperazinyl]sulfonyl]quinoline IUPAC Name: 3-methyl-8-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]sulfonylquinoline Traditional Name: 3-methyl-8-[4-(2-nitrobenzyl)piperazino]sulfonyl-quinoline Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CN=C2C(=C1)C=CC=C2S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S/c1-16-13-17-6-4-8-20(21(17)22-14-16)30(28,29)24-11-9-23(10-12-24)15-18-5-2-3-7-19(18)25(26)27/h2-8,13-14H,9-12,15H2,1H3