4-[(2-bromanyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[(2-bromanyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-bromo-5-(1-piperidylsulfonyl)benzoyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[2-bromo-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[(2-bromo-5-piperidin-1-ylsulfonylbenzoyl)amino]-3-methylbenzoic acid Traditional Name: 4-[(2-bromo-5-piperidinosulfonyl-benzoyl)amino]-3-methyl-benzoic acid Formula: C20H21BrN2O5S MolecularWeight: 481.36014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Br

InChI

InChI=1S/C20H21BrN2O5S/c1-13-11-14(20(25)26)5-8-18(13)22-19(24)16-12-15(6-7-17(16)21)29(27,28)23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10H2,1H3,(H,22,24)(H,25,26)