4-(3-bromophenyl)sulfonyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazine-1-carboxamide

Systemtic Name: 4-(3-bromophenyl)sulfonyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazine-1-carboxamide Openeye Name: 4-(3-bromophenyl)sulfonyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]piperazine-1-carboxamide CAS Name: 4-(3-bromophenyl)sulfonyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinecarboxamide IUPAC Name: 4-(3-bromophenyl)sulfonyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carboxamide Traditional Name: 4-(3-bromophenyl)sulfonyl-N-(3-fluoro-4-methoxy-benzyl)piperazine-1-carboxamide Formula: C19H21BrFN3O4S MolecularWeight: 486.355143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br)F

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br)F

InChI

InChI=1S/C19H21BrFN3O4S/c1-28-18-6-5-14(11-17(18)21)13-22-19(25)23-7-9-24(10-8-23)29(26,27)16-4-2-3-15(20)12-16/h2-6,11-12H,7-10,13H2,1H3,(H,22,25)