(2-chlorophenyl)-[4-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: (2-chlorophenyl)-[4-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (2-chlorophenyl)-[4-(4-morpholinosulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (2-chlorophenyl)-[4-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (2-chlorophenyl)-[4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (2-chlorophenyl)-[4-(4-morpholinosulfonyl-2-nitro-phenyl)piperazino]methanone Formula: C21H23ClN4O6S MolecularWeight: 494.94852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H23ClN4O6S/c22-18-4-2-1-3-17(18)21(27)24-9-7-23(8-10-24)19-6-5-16(15-20(19)26(28)29)33(30,31)25-11-13-32-14-12-25/h1-6,15H,7-14H2