4-methyl-N-[4-[(E)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]phenyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[4-[(E)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]phenyl]benzenesulfonamide Openeye Name: 4-methyl-N-[4-[(E)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]phenyl]benzenesulfonamide CAS Name: 4-methyl-N-[4-[(E)-3-[4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]-1-oxoprop-2-enyl]phenyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[4-[(E)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-enoyl]phenyl]benzenesulfonamide Traditional Name: 4-methyl-N-[4-[(E)-3-[4-[(1-methylimidazol-2-yl)thio]-3-nitro-phenyl]acryloyl]phenyl]benzenesulfonamide Formula: C26H22N4O5S2 MolecularWeight: 534.60668

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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)SC4=NC=CN4C)[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)SC4=NC=CN4C)[N+](=O)[O-]

InChI

InChI=1S/C26H22N4O5S2/c1-18-3-11-22(12-4-18)37(34,35)28-21-9-7-20(8-10-21)24(31)13-5-19-6-14-25(23(17-19)30(32)33)36-26-27-15-16-29(26)2/h3-17,28H,1-2H3/b13-5+