methyl 4-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenoxy]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O7S/c1-14-4-3-11-21(13-14)30(26,27)17-9-10-19(18(12-17)22(24)25)29-16-7-5-15(6-8-16)20(23)28-2/h5-10,12,14H,3-4,11,13H2,1-2H3