2-[(5-bromanyl-2,3-dimethyl-4-pent-2-ynoxy-phenyl)sulfonyl-oxidanyl-amino]benzamide

Systemtic Name: 2-[(5-bromanyl-2,3-dimethyl-4-pent-2-ynoxy-phenyl)sulfonyl-oxidanyl-amino]benzamide Openeye Name: 2-[(5-bromo-2,3-dimethyl-4-pent-2-ynoxy-phenyl)sulfonyl-hydroxy-amino]benzamide CAS Name: 2-[(5-bromo-2,3-dimethyl-4-pent-2-ynoxyphenyl)sulfonyl-hydroxyamino]benzamide IUPAC Name: 2-[(5-bromo-2,3-dimethyl-4-pent-2-ynoxyphenyl)sulfonyl-hydroxyamino]benzamide Traditional Name: 2-[(5-bromo-2,3-dimethyl-4-pent-2-ynoxy-phenyl)sulfonyl-hydroxy-amino]benzamide Formula: C20H21BrN2O5S MolecularWeight: 481.36014

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCOC1=C(C=C(C(=C1C)C)S(=O)(=O)N(C2=CC=CC=C2C(=O)N)O)Br

Isomeric SMILES

CCC#CCOC1=C(C=C(C(=C1C)C)S(=O)(=O)N(C2=CC=CC=C2C(=O)N)O)Br

InChI

InChI=1S/C20H21BrN2O5S/c1-4-5-8-11-28-19-14(3)13(2)18(12-16(19)21)29(26,27)23(25)17-10-7-6-9-15(17)20(22)24/h6-7,9-10,12,25H,4,11H2,1-3H3,(H2,22,24)