(6-chloranyl-2H-chromen-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (6-chloranyl-2H-chromen-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (6-chloro-2H-chromen-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (6-chloro-2H-1-benzopyran-3-yl)-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (6-chloro-2H-chromen-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (6-chloro-2H-chromen-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C20H18ClN3O6S MolecularWeight: 463.89142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC3=C(C=CC(=C3)Cl)OC2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC3=C(C=CC(=C3)Cl)OC2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClN3O6S/c21-16-4-5-19-14(11-16)10-15(13-30-19)20(25)22-6-8-23(9-7-22)31(28,29)18-3-1-2-17(12-18)24(26)27/h1-5,10-12H,6-9,13H2