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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-chromen-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (6-chlorochroman-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (6-chloro-3,4-dihydro-2H-1-benzopyran-3-yl)-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (6-chlorochroman-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C20H20ClN3O6S MolecularWeight: 465.9073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2CC3=C(C=CC(=C3)Cl)OC2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2CC3=C(C=CC(=C3)Cl)OC2)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN3O6S/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/h1-5,11-12,15H,6-10,13H2