N,N-diethyl-3-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]carbamoyl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]carbamoyl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]carbamoyl]benzenesulfonamide CAS Name: N,N-diethyl-3-[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]hydrazo]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]carbamoyl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[[[(E)-3-(3-nitrophenyl)acryloyl]amino]carbamoyl]benzenesulfonamide Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O6S/c1-3-23(4-2)31(29,30)18-10-6-8-16(14-18)20(26)22-21-19(25)12-11-15-7-5-9-17(13-15)24(27)28/h5-14H,3-4H2,1-2H3,(H,21,25)(H,22,26)/b12-11+