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

Systemtic Name: 4-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[(5-morpholinosulfonyl-2-thienyl)methyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[[5-(4-morpholinylsulfonyl)-2-thiophenyl]methyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-nitrobenzamide Traditional Name: 4-methyl-N-[(5-morpholinosulfonyl-2-thienyl)methyl]-3-nitro-benzamide Formula: C17H19N3O6S2 MolecularWeight: 425.47926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O6S2/c1-12-2-3-13(10-15(12)20(22)23)17(21)18-11-14-4-5-16(27-14)28(24,25)19-6-8-26-9-7-19/h2-5,10H,6-9,11H2,1H3,(H,18,21)