(E)-3-(4-chloranyl-3-nitro-phenyl)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]prop-2-enamide

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]prop-2-enamide Openeye Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]prop-2-enamide CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(4-chloro-3-nitrophenyl)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]prop-2-enamide Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-[4-(4-mesylpiperazino)phenyl]acrylamide Formula: C20H21ClN4O5S MolecularWeight: 464.92254

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O5S/c1-31(29,30)24-12-10-23(11-13-24)17-6-4-16(5-7-17)22-20(26)9-3-15-2-8-18(21)19(14-15)25(27)28/h2-9,14H,10-13H2,1H3,(H,22,26)/b9-3+