4-methoxy-N-(3-morpholin-4-ylcarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-methoxy-N-(3-morpholin-4-ylcarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitro-benzenesulfonamide Openeye Name: 4-methoxy-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-nitro-benzenesulfonamide CAS Name: 4-methoxy-N-[3-[4-morpholinyl(oxo)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methoxy-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-methoxy-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-nitro-benzenesulfonamide Formula: C20H23N3O7S2 MolecularWeight: 481.54252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O7S2/c1-29-16-7-6-13(12-15(16)23(25)26)32(27,28)21-19-18(14-4-2-3-5-17(14)31-19)20(24)22-8-10-30-11-9-22/h6-7,12,21H,2-5,8-11H2,1H3