N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(2-morpholinosulfonylphenyl)methyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[2-(4-morpholinylsulfonyl)phenyl]methyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(2-morpholinosulfonylbenzyl)-5-nitro-benzothiophene-2-carboxamide Formula: C20H19N3O6S2 MolecularWeight: 461.51136

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC=C2CNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC=C2CNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6S2/c24-20(18-12-15-11-16(23(25)26)5-6-17(15)30-18)21-13-14-3-1-2-4-19(14)31(27,28)22-7-9-29-10-8-22/h1-6,11-12H,7-10,13H2,(H,21,24)