4-[1-[2-(4-methylphenyl)sulfonylethyl]imidazol-2-yl]-1-[(5-nitrothiophen-3-yl)methyl]piperidine

Systemtic Name: 4-[1-[2-(4-methylphenyl)sulfonylethyl]imidazol-2-yl]-1-[(5-nitrothiophen-3-yl)methyl]piperidine Openeye Name: 1-[(5-nitro-3-thienyl)methyl]-4-[1-[2-(p-tolylsulfonyl)ethyl]imidazol-2-yl]piperidine CAS Name: 4-[1-[2-(4-methylphenyl)sulfonylethyl]-2-imidazolyl]-1-[(5-nitro-3-thiophenyl)methyl]piperidine IUPAC Name: 4-[1-[2-(4-methylphenyl)sulfonylethyl]imidazol-2-yl]-1-[(5-nitrothiophen-3-yl)methyl]piperidine Traditional Name: 1-[(5-nitro-3-thienyl)methyl]-4-[1-(2-tosylethyl)imidazol-2-yl]piperidine Formula: C22H26N4O4S2 MolecularWeight: 474.59624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCN2C=CN=C2C3CCN(CC3)CC4=CSC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCN2C=CN=C2C3CCN(CC3)CC4=CSC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4S2/c1-17-2-4-20(5-3-17)32(29,30)13-12-25-11-8-23-22(25)19-6-9-24(10-7-19)15-18-14-21(26(27)28)31-16-18/h2-5,8,11,14,16,19H,6-7,9-10,12-13,15H2,1H3