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

Systemtic Name: (4-nitrophenyl) 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: (4-nitrophenyl) 4-methoxy-3-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-methoxy-3-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-methoxy-3-(2-methylpiperidino)sulfonyl-benzoic acid (4-nitrophenyl) ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H22N2O7S/c1-14-5-3-4-12-21(14)30(26,27)19-13-15(6-11-18(19)28-2)20(23)29-17-9-7-16(8-10-17)22(24)25/h6-11,13-14H,3-5,12H2,1-2H3