2H-chromen-3-yl-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: 2H-chromen-3-yl-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: 2H-chromen-3-yl-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: 2H-1-benzopyran-3-yl-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: 2H-chromen-3-yl-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: 2H-chromen-3-yl-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]methanone Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4OC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4OC3

InChI

InChI=1S/C21H21N3O6S/c1-15-6-7-18(24(26)27)13-20(15)31(28,29)23-10-8-22(9-11-23)21(25)17-12-16-4-2-3-5-19(16)30-14-17/h2-7,12-13H,8-11,14H2,1H3