(E)-3-(2-nitrophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(2-nitrophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]prop-2-enamide Openeye Name: (E)-3-(2-nitrophenyl)-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]prop-2-enamide CAS Name: (E)-3-(2-nitrophenyl)-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-3-(2-nitrophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]prop-2-enamide Traditional Name: (E)-3-(2-nitrophenyl)-N-(4-piperidinosulfonylbenzyl)acrylamide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5S/c25-21(13-10-18-6-2-3-7-20(18)24(26)27)22-16-17-8-11-19(12-9-17)30(28,29)23-14-4-1-5-15-23/h2-3,6-13H,1,4-5,14-16H2,(H,22,25)/b13-10+