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

Systemtic Name: N-(3-morpholin-4-ylcarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitro-benzenesulfonamide Openeye Name: N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-nitro-benzenesulfonamide CAS Name: N-[3-[4-morpholinyl(oxo)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-4-nitro-benzenesulfonamide Formula: C19H21N3O6S2 MolecularWeight: 451.51654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N4CCOCC4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)N4CCOCC4

InChI

InChI=1S/C19H21N3O6S2/c23-19(21-9-11-28-12-10-21)17-15-3-1-2-4-16(15)29-18(17)20-30(26,27)14-7-5-13(6-8-14)22(24)25/h5-8,20H,1-4,9-12H2