N-[4-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylcarbamoyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylcarbamoyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[2-(4-methylsulfonyl-2-nitro-anilino)ethylcarbamoyl]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[2-(4-methylsulfonyl-2-nitroanilino)ethylcarbamoyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[2-(4-mesyl-2-nitro-anilino)ethylcarbamoyl]phenyl]thiophene-2-carboxamide Formula: C21H20N4O6S2 MolecularWeight: 488.5367

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O6S2/c1-33(30,31)16-8-9-17(18(13-16)25(28)29)22-10-11-23-20(26)14-4-6-15(7-5-14)24-21(27)19-3-2-12-32-19/h2-9,12-13,22H,10-11H2,1H3,(H,23,26)(H,24,27)