N-[3-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]-3-oxidanylidene-propyl]thiophene-3-carboxamide

Systemtic Name: N-[3-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylamino]-3-oxidanylidene-propyl]thiophene-3-carboxamide Openeye Name: N-[3-[2-(4-methylsulfonyl-2-nitro-anilino)ethylamino]-3-oxo-propyl]thiophene-3-carboxamide CAS Name: N-[3-[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]-3-oxopropyl]-3-thiophenecarboxamide IUPAC Name: N-[3-[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]-3-oxopropyl]thiophene-3-carboxamide Traditional Name: N-[3-keto-3-[2-(4-mesyl-2-nitro-anilino)ethylamino]propyl]thiophene-3-carboxamide Formula: C17H20N4O6S2 MolecularWeight: 440.4939

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CCNC(=O)C2=CSC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CCNC(=O)C2=CSC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O6S2/c1-29(26,27)13-2-3-14(15(10-13)21(24)25)18-7-8-19-16(22)4-6-20-17(23)12-5-9-28-11-12/h2-3,5,9-11,18H,4,6-8H2,1H3,(H,19,22)(H,20,23)