N-[5-[(3-ethylsulfonylpropanoylamino)carbamoyl]-6H-benzo[b][1,4]benzoxazepin-3-yl]methanesulfonamide

Systemtic Name: N-[5-[(3-ethylsulfonylpropanoylamino)carbamoyl]-6H-benzo[b][1,4]benzoxazepin-3-yl]methanesulfonamide Openeye Name: N-[5-[(3-ethylsulfonylpropanoylamino)carbamoyl]-6H-benzo[b][1,4]benzoxazepin-3-yl]methanesulfonamide CAS Name: N-[5-[[(3-ethylsulfonyl-1-oxopropyl)hydrazo]-oxomethyl]-6H-benzo[b][1,4]benzoxazepin-3-yl]methanesulfonamide IUPAC Name: N-[5-[(3-ethylsulfonylpropanoylamino)carbamoyl]-6H-benzo[b][1,4]benzoxazepin-3-yl]methanesulfonamide Traditional Name: N-[5-[(3-esylpropanoylamino)carbamoyl]-6H-benzo[b][1,4]benzoxazepin-3-yl]methanesulfonamide Formula: C20H24N4O7S2 MolecularWeight: 496.55716

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCC(=O)NNC(=O)N1CC2=CC=CC=C2OC3=C1C=C(C=C3)NS(=O)(=O)C

Isomeric SMILES

CCS(=O)(=O)CCC(=O)NNC(=O)N1CC2=CC=CC=C2OC3=C1C=C(C=C3)NS(=O)(=O)C

InChI

InChI=1S/C20H24N4O7S2/c1-3-33(29,30)11-10-19(25)21-22-20(26)24-13-14-6-4-5-7-17(14)31-18-9-8-15(12-16(18)24)23-32(2,27)28/h4-9,12,23H,3,10-11,13H2,1-2H3,(H,21,25)(H,22,26)