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

Systemtic Name: (5-methylsulfonyl-2-propan-2-yloxy-phenyl)-[4-(5-nitro-1,3-thiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (2-isopropoxy-5-methylsulfonyl-phenyl)-[4-(5-nitrothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (5-methylsulfonyl-2-propan-2-yloxyphenyl)-[4-(5-nitro-2-thiazolyl)-1-piperazinyl]methanone IUPAC Name: (5-methylsulfonyl-2-propan-2-yloxyphenyl)-[4-(5-nitro-1,3-thiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (2-isopropoxy-5-mesyl-phenyl)-[4-(5-nitrothiazol-2-yl)piperazino]methanone Formula: C18H22N4O6S2 MolecularWeight: 454.52048

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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)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=NC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O6S2/c1-12(2)28-15-5-4-13(30(3,26)27)10-14(15)17(23)20-6-8-21(9-7-20)18-19-11-16(29-18)22(24)25/h4-5,10-12H,6-9H2,1-3H3