(E)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[4-(4-mesylpiperazino)phenyl]-3-(3-nitrophenyl)acrylamide Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5S/c1-30(28,29)23-13-11-22(12-14-23)18-8-6-17(7-9-18)21-20(25)10-5-16-3-2-4-19(15-16)24(26)27/h2-10,15H,11-14H2,1H3,(H,21,25)/b10-5+