4-[[2-bromanyl-5-(2-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[2-bromanyl-5-(2-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[2-bromo-5-[(2-methyl-1-piperidyl)sulfonyl]benzoyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[2-bromo-5-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[2-bromo-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[2-bromo-5-(2-methylpiperidino)sulfonyl-benzoyl]amino]-3-methyl-benzoic acid Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NC3=C(C=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NC3=C(C=C(C=C3)C(=O)O)C

InChI

InChI=1S/C21H23BrN2O5S/c1-13-11-15(21(26)27)6-9-19(13)23-20(25)17-12-16(7-8-18(17)22)30(28,29)24-10-4-3-5-14(24)2/h6-9,11-12,14H,3-5,10H2,1-2H3,(H,23,25)(H,26,27)