(E)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(2-methyl-5-piperidinosulfonyl-phenyl)-3-(3-nitrophenyl)acrylamide Formula: C21H23N3O5S MolecularWeight: 429.48942

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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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S/c1-16-8-10-19(30(28,29)23-12-3-2-4-13-23)15-20(16)22-21(25)11-9-17-6-5-7-18(14-17)24(26)27/h5-11,14-15H,2-4,12-13H2,1H3,(H,22,25)/b11-9+