N-[1-[2-(4-methoxyphenyl)carbonylhydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[1-[2-(4-methoxyphenyl)carbonylhydrazinyl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[1-[[(4-methoxybenzoyl)amino]carbamoyl]-3-methylsulfanyl-propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[1-[[(4-methoxyphenyl)-oxomethyl]hydrazo]-4-(methylthio)-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[1-[2-(4-methoxybenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[3-(methylthio)-1-[(p-anisoylamino)carbamoyl]propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H25N3O7S2 MolecularWeight: 495.5691

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NNC(=O)C(CCSC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NNC(=O)C(CCSC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H25N3O7S2/c1-29-15-5-3-14(4-6-15)20(25)22-23-21(26)17(9-12-32-2)24-33(27,28)16-7-8-18-19(13-16)31-11-10-30-18/h3-8,13,17,24H,9-12H2,1-2H3,(H,22,25)(H,23,26)