[3-(3-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [3-(3-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: [3-(3-bromophenyl)-4,5-dihydroisoxazol-5-yl]-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone CAS Name: [3-(3-bromophenyl)-4,5-dihydroisoxazol-5-yl]-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone IUPAC Name: [3-(3-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [3-(3-bromophenyl)-2-isoxazolin-5-yl]-[4-(2-thienylsulfonyl)piperazino]methanone Formula: C18H18BrN3O4S2 MolecularWeight: 484.38722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2CC(=NO2)C3=CC(=CC=C3)Br)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)C2CC(=NO2)C3=CC(=CC=C3)Br)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H18BrN3O4S2/c19-14-4-1-3-13(11-14)15-12-16(26-20-15)18(23)21-6-8-22(9-7-21)28(24,25)17-5-2-10-27-17/h1-5,10-11,16H,6-9,12H2