N,N-diethyl-4-[(E)-3-[4-(methylamino)-3-nitro-phenyl]prop-2-enoyl]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[(E)-3-[4-(methylamino)-3-nitro-phenyl]prop-2-enoyl]benzenesulfonamide Openeye Name: N,N-diethyl-4-[(E)-3-[4-(methylamino)-3-nitro-phenyl]prop-2-enoyl]benzenesulfonamide CAS Name: N,N-diethyl-4-[(E)-3-[4-(methylamino)-3-nitrophenyl]-1-oxoprop-2-enyl]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[(E)-3-[4-(methylamino)-3-nitrophenyl]prop-2-enoyl]benzenesulfonamide Traditional Name: N,N-diethyl-4-[(E)-3-[4-(methylamino)-3-nitro-phenyl]acryloyl]benzenesulfonamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-4-22(5-2)29(27,28)17-10-8-16(9-11-17)20(24)13-7-15-6-12-18(21-3)19(14-15)23(25)26/h6-14,21H,4-5H2,1-3H3/b13-7+