N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-5-nitro-thiophene-3-carboxamide

Systemtic Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-5-nitro-thiophene-3-carboxamide Openeye Name: N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-5-nitro-thiophene-3-carboxamide CAS Name: N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-5-nitro-3-thiophenecarboxamide IUPAC Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-5-nitrothiophene-3-carboxamide Traditional Name: N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-5-nitro-thiophene-3-carboxamide Formula: C18H21N3O5S2 MolecularWeight: 423.50644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CSC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CSC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H21N3O5S2/c1-12-4-3-5-13(2)20(12)28(25,26)16-8-6-15(7-9-16)19-18(22)14-10-17(21(23)24)27-11-14/h6-13H,3-5H2,1-2H3,(H,19,22)