1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(3-benzoxy-4-methoxy-benzyl)-4-(2-nitrophenyl)sulfonyl-piperazine Formula: C25H27N3O6S MolecularWeight: 497.56338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O6S/c1-33-23-12-11-21(17-24(23)34-19-20-7-3-2-4-8-20)18-26-13-15-27(16-14-26)35(31,32)25-10-6-5-9-22(25)28(29)30/h2-12,17H,13-16,18-19H2,1H3