N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-nitro-benzamide

Systemtic Name: N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-nitro-benzamide Openeye Name: N-[(5-morpholinosulfonyl-2-thienyl)methyl]-3-nitro-benzamide CAS Name: N-[[5-(4-morpholinylsulfonyl)-2-thiophenyl]methyl]-3-nitrobenzamide IUPAC Name: N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-nitrobenzamide Traditional Name: N-[(5-morpholinosulfonyl-2-thienyl)methyl]-3-nitro-benzamide Formula: C16H17N3O6S2 MolecularWeight: 411.45268

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O6S2/c20-16(12-2-1-3-13(10-12)19(21)22)17-11-14-4-5-15(26-14)27(23,24)18-6-8-25-9-7-18/h1-5,10H,6-9,11H2,(H,17,20)