4-bromanyl-N-(2-tert-butylphenyl)-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: 4-bromanyl-N-(2-tert-butylphenyl)-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: 4-bromo-N-(2-tert-butylphenyl)-3-morpholinosulfonyl-benzamide CAS Name: 4-bromo-N-(2-tert-butylphenyl)-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: 4-bromo-N-(2-tert-butylphenyl)-3-morpholin-4-ylsulfonylbenzamide Traditional Name: 4-bromo-N-(2-tert-butylphenyl)-3-morpholinosulfonyl-benzamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H25BrN2O4S/c1-21(2,3)16-6-4-5-7-18(16)23-20(25)15-8-9-17(22)19(14-15)29(26,27)24-10-12-28-13-11-24/h4-9,14H,10-13H2,1-3H3,(H,23,25)