N-[(2S)-3-methyl-1-[2-(3-nitrophenyl)carbonylhydrazinyl]-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[(2S)-3-methyl-1-[2-(3-nitrophenyl)carbonylhydrazinyl]-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(1S)-2-methyl-1-[[(3-nitrobenzoyl)amino]carbamoyl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[(2S)-3-methyl-1-[[(3-nitrophenyl)-oxomethyl]hydrazo]-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(2S)-3-methyl-1-[2-(3-nitrobenzoyl)hydrazinyl]-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[(1S)-2-methyl-1-[[(3-nitrobenzoyl)amino]carbamoyl]propyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C20H22N4O8S MolecularWeight: 478.47568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)[C@@H](C(=O)NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H22N4O8S/c1-12(2)18(20(26)22-21-19(25)13-4-3-5-14(10-13)24(27)28)23-33(29,30)15-6-7-16-17(11-15)32-9-8-31-16/h3-7,10-12,18,23H,8-9H2,1-2H3,(H,21,25)(H,22,26)/t18-/m0/s1