1-[2,4-bis(methylsulfonyl)phenyl]-4-(thiophen-2-ylmethyl)piperazine

Systemtic Name: 1-[2,4-bis(methylsulfonyl)phenyl]-4-(thiophen-2-ylmethyl)piperazine Openeye Name: 1-[2,4-bis(methylsulfonyl)phenyl]-4-(2-thienylmethyl)piperazine CAS Name: 1-[2,4-bis(methylsulfonyl)phenyl]-4-(thiophen-2-ylmethyl)piperazine IUPAC Name: 1-[2,4-bis(methylsulfonyl)phenyl]-4-(thiophen-2-ylmethyl)piperazine Traditional Name: 1-(2,4-dimesylphenyl)-4-(2-thenyl)piperazine Formula: C17H22N2O4S3 MolecularWeight: 414.56258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CS3)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CS3)S(=O)(=O)C

InChI

InChI=1S/C17H22N2O4S3/c1-25(20,21)15-5-6-16(17(12-15)26(2,22)23)19-9-7-18(8-10-19)13-14-4-3-11-24-14/h3-6,11-12H,7-10,13H2,1-2H3