N-[4-[[2-(2,6-dimethylphenoxy)ethanoylamino]carbamoyl]phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-[[2-(2,6-dimethylphenoxy)ethanoylamino]carbamoyl]phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[[[2-(2,6-dimethylphenoxy)-1-oxoethyl]hydrazo]-oxomethyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]-3-nitro-benzenesulfonamide Formula: C23H22N4O7S MolecularWeight: 498.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(=O)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(=O)NNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O7S/c1-15-5-3-6-16(2)22(15)34-14-21(28)24-25-23(29)17-9-11-18(12-10-17)26-35(32,33)20-8-4-7-19(13-20)27(30)31/h3-13,26H,14H2,1-2H3,(H,24,28)(H,25,29)