(E)-3-(4-chloranyl-3-nitro-phenyl)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)prop-2-enamide

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)prop-2-enamide Openeye Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(4-chloro-3-nitrophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-(2-methyl-5-piperidinosulfonyl-phenyl)acrylamide Formula: C21H22ClN3O5S MolecularWeight: 463.93448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN3O5S/c1-15-5-8-17(31(29,30)24-11-3-2-4-12-24)14-19(15)23-21(26)10-7-16-6-9-18(22)20(13-16)25(27)28/h5-10,13-14H,2-4,11-12H2,1H3,(H,23,26)/b10-7+