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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H24N2O7S/c1-15-9-11-22(12-10-15)31(27,28)19-6-3-16(4-7-19)21(24)30-14-17-13-18(23(25)26)5-8-20(17)29-2/h3-8,13,15H,9-12,14H2,1-2H3