4-(4-bromanyl-3-methyl-phenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carboxamide

Systemtic Name: 4-(4-bromanyl-3-methyl-phenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carboxamide Openeye Name: 4-(4-bromo-3-methyl-phenyl)sulfonyl-N-(2-furylmethyl)piperazine-1-carboxamide CAS Name: 4-(4-bromo-3-methylphenyl)sulfonyl-N-(2-furanylmethyl)-1-piperazinecarboxamide IUPAC Name: 4-(4-bromo-3-methylphenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carboxamide Traditional Name: 4-(4-bromo-3-methyl-phenyl)sulfonyl-N-(2-furfuryl)piperazine-1-carboxamide Formula: C17H20BrN3O4S MolecularWeight: 442.3274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC=CO3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CC=CO3)Br

InChI

InChI=1S/C17H20BrN3O4S/c1-13-11-15(4-5-16(13)18)26(23,24)21-8-6-20(7-9-21)17(22)19-12-14-3-2-10-25-14/h2-5,10-11H,6-9,12H2,1H3,(H,19,22)