[4-(5-bromanyl-1,3-thiazol-2-yl)piperazin-1-yl]-(5-methylsulfonyl-2-propan-2-yloxy-phenyl)methanone

Systemtic Name: [4-(5-bromanyl-1,3-thiazol-2-yl)piperazin-1-yl]-(5-methylsulfonyl-2-propan-2-yloxy-phenyl)methanone Openeye Name: [4-(5-bromothiazol-2-yl)piperazin-1-yl]-(2-isopropoxy-5-methylsulfonyl-phenyl)methanone CAS Name: [4-(5-bromo-2-thiazolyl)-1-piperazinyl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone IUPAC Name: [4-(5-bromo-1,3-thiazol-2-yl)piperazin-1-yl]-(5-methylsulfonyl-2-propan-2-yloxyphenyl)methanone Traditional Name: [4-(5-bromothiazol-2-yl)piperazino]-(2-isopropoxy-5-mesyl-phenyl)methanone Formula: C18H22BrN3O4S2 MolecularWeight: 488.41898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=NC=C(S3)Br

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=NC=C(S3)Br

InChI

InChI=1S/C18H22BrN3O4S2/c1-12(2)26-15-5-4-13(28(3,24)25)10-14(15)17(23)21-6-8-22(9-7-21)18-20-11-16(19)27-18/h4-5,10-12H,6-9H2,1-3H3