(6-chloranyl-3,4-dihydro-2H-chromen-3-yl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-chromen-3-yl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (6-chlorochroman-3-yl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (6-chloro-3,4-dihydro-2H-1-benzopyran-3-yl)-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (6-chlorochroman-3-yl)-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methanone Formula: C21H22ClN3O7S MolecularWeight: 495.93328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4=C(C=CC(=C4)Cl)OC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC4=C(C=CC(=C4)Cl)OC3)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN3O7S/c1-31-20-5-3-17(12-18(20)25(27)28)33(29,30)24-8-6-23(7-9-24)21(26)15-10-14-11-16(22)2-4-19(14)32-13-15/h2-5,11-12,15H,6-10,13H2,1H3