(4-nitrophenyl)methyl 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: (4-nitrophenyl)methyl 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: (4-nitrophenyl)methyl 4-methoxy-3-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-methoxy-3-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-methoxy-3-(2-methylpiperidino)sulfonyl-benzoic acid (4-nitrobenzyl) ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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