4-methyl-N-[4-[(E)-3-(4-morpholin-4-yl-3-nitro-phenyl)prop-2-enoyl]phenyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[4-[(E)-3-(4-morpholin-4-yl-3-nitro-phenyl)prop-2-enoyl]phenyl]benzenesulfonamide Openeye Name: 4-methyl-N-[4-[(E)-3-(4-morpholino-3-nitro-phenyl)prop-2-enoyl]phenyl]benzenesulfonamide CAS Name: 4-methyl-N-[4-[(E)-3-[4-(4-morpholinyl)-3-nitrophenyl]-1-oxoprop-2-enyl]phenyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[4-[(E)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enoyl]phenyl]benzenesulfonamide Traditional Name: 4-methyl-N-[4-[(E)-3-(4-morpholino-3-nitro-phenyl)acryloyl]phenyl]benzenesulfonamide Formula: C26H25N3O6S MolecularWeight: 507.5582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)C=CC3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)/C=C/C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C26H25N3O6S/c1-19-2-10-23(11-3-19)36(33,34)27-22-8-6-21(7-9-22)26(30)13-5-20-4-12-24(25(18-20)29(31)32)28-14-16-35-17-15-28/h2-13,18,27H,14-17H2,1H3/b13-5+