(3-chloranyl-5-methoxy-4-propoxy-phenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-5-methoxy-4-propoxy-phenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3-chloro-5-methoxy-4-propoxy-phenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (3-chloro-5-methoxy-4-propoxyphenyl)-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3-chloro-5-methoxy-4-propoxyphenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3-chloro-5-methoxy-4-propoxy-phenyl)-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C21H24ClN3O7S MolecularWeight: 497.94916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H24ClN3O7S/c1-3-11-32-20-18(22)12-15(13-19(20)31-2)21(26)23-7-9-24(10-8-23)33(29,30)17-6-4-5-16(14-17)25(27)28/h4-6,12-14H,3,7-11H2,1-2H3