1-[(4-methylsulfanylphenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-(3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-[4-(methylthio)benzyl]-4-(3-nitrophenyl)sulfonyl-piperazine Formula: C18H21N3O4S2 MolecularWeight: 407.50704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4S2/c1-26-17-7-5-15(6-8-17)14-19-9-11-20(12-10-19)27(24,25)18-4-2-3-16(13-18)21(22)23/h2-8,13H,9-12,14H2,1H3