4-bromanyl-N-(5-methyl-2-oxidanyl-phenyl)-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-bromanyl-N-(5-methyl-2-oxidanyl-phenyl)-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: 4-bromo-N-(2-hydroxy-5-methyl-phenyl)-3-(1-piperidylsulfonyl)benzamide CAS Name: 4-bromo-N-(2-hydroxy-5-methylphenyl)-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: 4-bromo-N-(2-hydroxy-5-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide Traditional Name: 4-bromo-N-(2-hydroxy-5-methyl-phenyl)-3-piperidinosulfonyl-benzamide Formula: C19H21BrN2O4S MolecularWeight: 453.35004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)NC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)O)NC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H21BrN2O4S/c1-13-5-8-17(23)16(11-13)21-19(24)14-6-7-15(20)18(12-14)27(25,26)22-9-3-2-4-10-22/h5-8,11-12,23H,2-4,9-10H2,1H3,(H,21,24)