(E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-nitro-4-(p-tolylsulfanyl)phenyl]-N-[3-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-2-cyano-3-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-N-[3-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-nitro-4-(p-tolylthio)phenyl]-N-(3-piperidinosulfonylphenyl)acrylamide Formula: C28H26N4O5S2 MolecularWeight: 562.65984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C28H26N4O5S2/c1-20-8-11-24(12-9-20)38-27-13-10-21(17-26(27)32(34)35)16-22(19-29)28(33)30-23-6-5-7-25(18-23)39(36,37)31-14-3-2-4-15-31/h5-13,16-18H,2-4,14-15H2,1H3,(H,30,33)/b22-16+