N-(4-bromanyl-3-methyl-phenyl)-2-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3-yl]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-(2-keto-6-pyrrolidinosulfonyl-1,3-benzoxazol-3-yl)acetamide Formula: C20H20BrN3O5S MolecularWeight: 494.3589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)OC2=O)Br

InChI

InChI=1S/C20H20BrN3O5S/c1-13-10-14(4-6-16(13)21)22-19(25)12-24-17-7-5-15(11-18(17)29-20(24)26)30(27,28)23-8-2-3-9-23/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,22,25)