(3-methyl-2-nitro-phenyl)methyl 4-[[2-(4-chlorophenyl)sulfanylphenyl]methyl]piperazine-1-carboxylate

Systemtic Name: (3-methyl-2-nitro-phenyl)methyl 4-[[2-(4-chlorophenyl)sulfanylphenyl]methyl]piperazine-1-carboxylate Openeye Name: (3-methyl-2-nitro-phenyl)methyl 4-[[2-(4-chlorophenyl)sulfanylphenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[2-[(4-chlorophenyl)thio]phenyl]methyl]-1-piperazinecarboxylic acid (3-methyl-2-nitrophenyl)methyl ester IUPAC Name: (3-methyl-2-nitrophenyl)methyl 4-[[2-(4-chlorophenyl)sulfanylphenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-chlorophenyl)thio]benzyl]piperazine-1-carboxylic acid (3-methyl-2-nitro-benzyl) ester Formula: C26H26ClN3O4S MolecularWeight: 512.02034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COC(=O)N2CCN(CC2)CC3=CC=CC=C3SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)COC(=O)N2CCN(CC2)CC3=CC=CC=C3SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H26ClN3O4S/c1-19-5-4-7-21(25(19)30(32)33)18-34-26(31)29-15-13-28(14-16-29)17-20-6-2-3-8-24(20)35-23-11-9-22(27)10-12-23/h2-12H,13-18H2,1H3