(3-morpholin-4-ylsulfonylphenyl)methyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C20H18N2O7S2 MolecularWeight: 462.49612

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O7S2/c23-20(19-12-15-11-16(22(24)25)4-5-18(15)30-19)29-13-14-2-1-3-17(10-14)31(26,27)21-6-8-28-9-7-21/h1-5,10-12H,6-9,13H2