[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone

Systemtic Name: [4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone Openeye Name: [4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-yl]-[5-(2-thienyl)isoxazol-3-yl]methanone CAS Name: [4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazinyl]-(5-thiophen-2-yl-3-isoxazolyl)methanone IUPAC Name: [4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone Traditional Name: [4-(4-bromo-3-methyl-phenyl)sulfonylpiperazino]-[5-(2-thienyl)isoxazol-3-yl]methanone Formula: C19H18BrN3O4S2 MolecularWeight: 496.39792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NOC(=C3)C4=CC=CS4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=NOC(=C3)C4=CC=CS4)Br

InChI

InChI=1S/C19H18BrN3O4S2/c1-13-11-14(4-5-15(13)20)29(25,26)23-8-6-22(7-9-23)19(24)16-12-17(27-21-16)18-3-2-10-28-18/h2-5,10-12H,6-9H2,1H3