(2-methoxy-5-nitro-phenyl)methyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 4-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(2-methylpiperidino)sulfonylbenzoic acid (2-methoxy-5-nitro-benzyl) ester Formula: C21H24N2O7S MolecularWeight: 448.48946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H24N2O7S/c1-15-5-3-4-12-22(15)31(27,28)19-9-6-16(7-10-19)21(24)30-14-17-13-18(23(25)26)8-11-20(17)29-2/h6-11,13,15H,3-5,12,14H2,1-2H3