(E)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-(2-thienyl)acrylamide Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C=CC2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)/C=C/C2=CC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5S2/c1-26(23,24)13-5-6-14(15(11-13)19(21)22)17-8-9-18-16(20)7-4-12-3-2-10-25-12/h2-7,10-11,17H,8-9H2,1H3,(H,18,20)/b7-4+