(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (2-methyl-5-morpholin-4-ylsulfonyl-phenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone Openeye Name: (2-methyl-5-morpholinosulfonyl-phenyl)-[4-(2-thienylmethyl)piperazin-1-yl]methanone CAS Name: [2-methyl-5-(4-morpholinylsulfonyl)phenyl]-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methanone IUPAC Name: (2-methyl-5-morpholin-4-ylsulfonylphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone Traditional Name: (2-methyl-5-morpholinosulfonyl-phenyl)-[4-(2-thenyl)piperazino]methanone Formula: C21H27N3O4S2 MolecularWeight: 449.58678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)N3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C21H27N3O4S2/c1-17-4-5-19(30(26,27)24-10-12-28-13-11-24)15-20(17)21(25)23-8-6-22(7-9-23)16-18-3-2-14-29-18/h2-5,14-15H,6-13,16H2,1H3