2-[[4-bromanyl-3-(4-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[4-bromanyl-3-(4-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[4-bromo-3-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]amino]benzoic acid CAS Name: 2-[[[4-bromo-3-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-bromo-3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzoic acid Traditional Name: 2-[[4-bromo-3-(4-methylpiperidino)sulfonyl-benzoyl]amino]benzoic acid Formula: C20H21BrN2O5S MolecularWeight: 481.36014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O)Br

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O)Br

InChI

InChI=1S/C20H21BrN2O5S/c1-13-8-10-23(11-9-13)29(27,28)18-12-14(6-7-16(18)21)19(24)22-17-5-3-2-4-15(17)20(25)26/h2-7,12-13H,8-11H2,1H3,(H,22,24)(H,25,26)