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

Systemtic Name: (6-chloranyl-2H-chromen-3-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (6-chloro-2H-chromen-3-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (6-chloro-2H-1-benzopyran-3-yl)-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (6-chloro-2H-chromen-3-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (6-chloro-2H-chromen-3-yl)-[4-(4-methoxyphenyl)sulfonylpiperazino]methanone Formula: C21H21ClN2O5S MolecularWeight: 448.91984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C21H21ClN2O5S/c1-28-18-3-5-19(6-4-18)30(26,27)24-10-8-23(9-11-24)21(25)16-12-15-13-17(22)2-7-20(15)29-14-16/h2-7,12-13H,8-11,14H2,1H3