(E)-3-(4-chloranyl-3-nitro-phenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-[3-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-N-[3-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(4-chloro-3-nitrophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-(3-piperidinosulfonylphenyl)acrylamide Formula: C20H20ClN3O5S MolecularWeight: 449.9079

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN3O5S/c21-18-9-7-15(13-19(18)24(26)27)8-10-20(25)22-16-5-4-6-17(14-16)30(28,29)23-11-2-1-3-12-23/h4-10,13-14H,1-3,11-12H2,(H,22,25)/b10-8+