4-bromanyl-N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]benzenesulfonamide Openeye Name: 4-bromo-N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]benzenesulfonamide CAS Name: 4-bromo-N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide Traditional Name: 4-bromo-N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]benzenesulfonamide Formula: C20H25BrN2O3S MolecularWeight: 453.3931

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)Br)N3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)Br)N3CCCCC3

InChI

InChI=1S/C20H25BrN2O3S/c1-26-18-9-5-16(6-10-18)20(23-13-3-2-4-14-23)15-22-27(24,25)19-11-7-17(21)8-12-19/h5-12,20,22H,2-4,13-15H2,1H3