N-[4-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)butylsulfonyl]ethanamide bromide

Systemtic Name: N-[4-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)butylsulfonyl]ethanamide bromide Openeye Name: N-[4-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)butylsulfonyl]acetamide bromide CAS Name: N-[4-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)butylsulfonyl]acetamide bromide IUPAC Name: N-[4-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)butylsulfonyl]acetamide bromide Traditional Name: N-[4-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)butylsulfonyl]acetamide bromide Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCCS(=O)(=O)NC(=O)C.[Br-]

Isomeric SMILES

CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCCS(=O)(=O)NC(=O)C.[Br-]

InChI

InChI=1S/C20H22N2O4S.BrH/c1-15(23)21-27(24,25)13-7-6-12-22-16(2)26-20-11-10-18(14-19(20)22)17-8-4-3-5-9-17;/h3-5,8-11,14H,6-7,12-13H2,1-2H3;1H