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

Systemtic Name: (2-nitrophenyl)methyl 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: (2-nitrophenyl)methyl 4-chloro-3-[(3-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-chloro-3-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(3-methylpiperidino)sulfonyl-benzoic acid (2-nitrobenzyl) ester Formula: C20H21ClN2O6S MolecularWeight: 452.90854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=CC=C3[N+](=O)[O-])Cl

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=CC=C3[N+](=O)[O-])Cl

InChI

InChI=1S/C20H21ClN2O6S/c1-14-5-4-10-22(12-14)30(27,28)19-11-15(8-9-17(19)21)20(24)29-13-16-6-2-3-7-18(16)23(25)26/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3