(E)-3-(4-chloranyl-3-nitro-phenyl)-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]prop-2-enamide

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]prop-2-enamide Openeye Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-[2-(4-methylpiperazin-1-yl)-5-(1-piperidylsulfonyl)phenyl]prop-2-enamide CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-N-[2-(4-methyl-1-piperazinyl)-5-(1-piperidinylsulfonyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(4-chloro-3-nitrophenyl)-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]prop-2-enamide Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-[2-(4-methylpiperazino)-5-piperidinosulfonyl-phenyl]acrylamide Formula: C25H30ClN5O5S MolecularWeight: 548.0542

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)C=CC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)NC(=O)/C=C/C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H30ClN5O5S/c1-28-13-15-29(16-14-28)23-9-7-20(37(35,36)30-11-3-2-4-12-30)18-22(23)27-25(32)10-6-19-5-8-21(26)24(17-19)31(33)34/h5-10,17-18H,2-4,11-16H2,1H3,(H,27,32)/b10-6+