6,7-dimethyl-4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[4-(2-nitrophenyl)sulfonylpiperazino]methyl]coumarin Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C22H23N3O6S/c1-15-11-18-17(13-22(26)31-20(18)12-16(15)2)14-23-7-9-24(10-8-23)32(29,30)21-6-4-3-5-19(21)25(27)28/h3-6,11-13H,7-10,14H2,1-2H3