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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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