1-[(4-chlorophenyl)methyl]-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-[(4-chlorophenyl)methyl]-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-[(4-chlorophenyl)methyl]-4-(4-methoxy-3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-(4-methoxy-3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(4-chlorobenzyl)-4-(4-methoxy-3-nitro-phenyl)sulfonyl-piperazine Formula: C18H20ClN3O5S MolecularWeight: 425.8865

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H20ClN3O5S/c1-27-18-7-6-16(12-17(18)22(23)24)28(25,26)21-10-8-20(9-11-21)13-14-2-4-15(19)5-3-14/h2-7,12H,8-11,13H2,1H3