1-(4-chloranyl-3-nitro-phenyl)sulfonyl-4-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]piperazine

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)sulfonyl-4-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]piperazine Openeye Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-4-[(4-isobutoxy-3-methoxy-phenyl)methyl]piperazine CAS Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-4-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]piperazine IUPAC Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-4-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]piperazine Traditional Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-4-(4-isobutoxy-3-methoxy-benzyl)piperazine Formula: C22H28ClN3O6S MolecularWeight: 497.99222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C22H28ClN3O6S/c1-16(2)15-32-21-7-4-17(12-22(21)31-3)14-24-8-10-25(11-9-24)33(29,30)18-5-6-19(23)20(13-18)26(27)28/h4-7,12-13,16H,8-11,14-15H2,1-3H3