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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC(=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC(=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O7S/c1-14-8-10-21(11-9-14)30(26,27)17-6-7-19(18(13-17)22(24)25)29-16-5-3-4-15(12-16)20(23)28-2/h3-7,12-14H,8-11H2,1-2H3