(2-chloranyl-4-nitro-phenyl) 4-(3-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 4-(3-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (2-chloro-4-nitro-phenyl) 4-[(3-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 4-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(3-methylpiperidino)sulfonylbenzoic acid (2-chloro-4-nitro-phenyl) ester Formula: C19H19ClN2O6S MolecularWeight: 438.88196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O6S/c1-13-3-2-10-21(12-13)29(26,27)16-7-4-14(5-8-16)19(23)28-18-9-6-15(22(24)25)11-17(18)20/h4-9,11,13H,2-3,10,12H2,1H3