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

Systemtic Name: 4-[[4-bromanyl-3-(4-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[4-bromo-3-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[4-bromo-3-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[4-bromo-3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[4-bromo-3-(4-methylpiperidino)sulfonyl-benzoyl]amino]-3-methyl-benzoic acid Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C)Br

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=C(C=C(C=C3)C(=O)O)C)Br

InChI

InChI=1S/C21H23BrN2O5S/c1-13-7-9-24(10-8-13)30(28,29)19-12-15(3-5-17(19)22)20(25)23-18-6-4-16(21(26)27)11-14(18)2/h3-6,11-13H,7-10H2,1-2H3,(H,23,25)(H,26,27)