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

Systemtic Name: (6-chloranyl-2H-chromen-3-yl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (6-chloro-2H-chromen-3-yl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (6-chloro-2H-1-benzopyran-3-yl)-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (6-chloro-2H-chromen-3-yl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (6-chloro-2H-chromen-3-yl)-(4-nosylpiperazino)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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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