4-ethanoyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-6-sulfonamide

Systemtic Name: 4-ethanoyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-6-sulfonamide Openeye Name: 4-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-6-sulfonamide CAS Name: 4-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-6-sulfonamide IUPAC Name: 4-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-6-sulfonamide Traditional Name: 4-acetyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-6-sulfonamide Formula: C18H21N3O6S2 MolecularWeight: 439.50584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCOC2=C1C=C(C=C2)S(=O)(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC(=O)N1CCOC2=C1C=C(C=C2)S(=O)(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H21N3O6S2/c1-13(22)21-10-11-27-18-7-6-16(12-17(18)21)29(25,26)20-9-8-14-2-4-15(5-3-14)28(19,23)24/h2-7,12,20H,8-11H2,1H3,(H2,19,23,24)