4-bromanyl-N-[(3-methoxyphenyl)methyl]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-bromanyl-N-[(3-methoxyphenyl)methyl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: 4-bromo-N-[(3-methoxyphenyl)methyl]-3-(1-piperidylsulfonyl)benzamide CAS Name: 4-bromo-N-[(3-methoxyphenyl)methyl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: 4-bromo-N-[(3-methoxyphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: 4-bromo-N-m-anisyl-3-piperidinosulfonyl-benzamide Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H23BrN2O4S/c1-27-17-7-5-6-15(12-17)14-22-20(24)16-8-9-18(21)19(13-16)28(25,26)23-10-3-2-4-11-23/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,22,24)