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

Systemtic Name: 6-chloranyl-7-ethyl-4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-7-ethyl-4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-ethyl-4-[[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-ethyl-4-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-ethyl-4-[[4-(2-nitrophenyl)sulfonylpiperazino]methyl]coumarin Formula: C22H22ClN3O6S MolecularWeight: 491.94458

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])Cl

InChI

InChI=1S/C22H22ClN3O6S/c1-2-15-11-20-17(13-18(15)23)16(12-22(27)32-20)14-24-7-9-25(10-8-24)33(30,31)21-6-4-3-5-19(21)26(28)29/h3-6,11-13H,2,7-10,14H2,1H3