N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-[(2-nitrophenyl)sulfonyl-phenyl-amino]ethanamide

Systemtic Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-[(2-nitrophenyl)sulfonyl-phenyl-amino]ethanamide Openeye Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide CAS Name: N-[(1-methyl-4-piperidin-1-iumylidene)amino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide IUPAC Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide Traditional Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide Formula: C20H24N5O5S+ MolecularWeight: 446.50006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=NNC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])CC1

Isomeric SMILES

C[NH+]1CCC(=NNC(=O)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])CC1

InChI

InChI=1S/C20H23N5O5S/c1-23-13-11-16(12-14-23)21-22-20(26)15-24(17-7-3-2-4-8-17)31(29,30)19-10-6-5-9-18(19)25(27)28/h2-10H,11-15H2,1H3,(H,22,26)/p+1