4-[3-(3-bromanylphenoxy)propanoyl]-N-cyclohexyl-N-methyl-piperazine-1-sulfonamide

Systemtic Name: 4-[3-(3-bromanylphenoxy)propanoyl]-N-cyclohexyl-N-methyl-piperazine-1-sulfonamide Openeye Name: 4-[3-(3-bromophenoxy)propanoyl]-N-cyclohexyl-N-methyl-piperazine-1-sulfonamide CAS Name: 4-[3-(3-bromophenoxy)-1-oxopropyl]-N-cyclohexyl-N-methyl-1-piperazinesulfonamide IUPAC Name: 4-[3-(3-bromophenoxy)propanoyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide Traditional Name: 4-[3-(3-bromophenoxy)propanoyl]-N-cyclohexyl-N-methyl-piperazine-1-sulfonamide Formula: C20H30BrN3O4S MolecularWeight: 488.4389

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)S(=O)(=O)N2CCN(CC2)C(=O)CCOC3=CC(=CC=C3)Br

Isomeric SMILES

CN(C1CCCCC1)S(=O)(=O)N2CCN(CC2)C(=O)CCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H30BrN3O4S/c1-22(18-7-3-2-4-8-18)29(26,27)24-13-11-23(12-14-24)20(25)10-15-28-19-9-5-6-17(21)16-19/h5-6,9,16,18H,2-4,7-8,10-15H2,1H3