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

Systemtic Name: methyl 2-[4-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitro-phenoxy]phenyl]ethanoate Openeye Name: methyl 2-[4-[4-[(3-methyl-1-piperidyl)sulfonyl]-2-nitro-phenoxy]phenyl]acetate CAS Name: 2-[4-[4-[(3-methyl-1-piperidinyl)sulfonyl]-2-nitrophenoxy]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitrophenoxy]phenyl]acetate Traditional Name: 2-[4-[4-(3-methylpiperidino)sulfonyl-2-nitro-phenoxy]phenyl]acetic acid methyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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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)CC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O7S/c1-15-4-3-11-22(14-15)31(27,28)18-9-10-20(19(13-18)23(25)26)30-17-7-5-16(6-8-17)12-21(24)29-2/h5-10,13,15H,3-4,11-12,14H2,1-2H3