[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(3-phenylthiophen-2-yl)methanone

Systemtic Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(3-phenylthiophen-2-yl)methanone Openeye Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-(3-phenyl-2-thienyl)methanone CAS Name: [4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-(3-phenyl-2-thiophenyl)methanone IUPAC Name: [4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-(3-phenylthiophen-2-yl)methanone Traditional Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-(3-phenyl-2-thienyl)methanone Formula: C22H21N3O5S2 MolecularWeight: 471.54924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CS3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O5S2/c1-16-7-8-18(25(27)28)15-20(16)32(29,30)24-12-10-23(11-13-24)22(26)21-19(9-14-31-21)17-5-3-2-4-6-17/h2-9,14-15H,10-13H2,1H3