2-[[4-(4-azaspiro[4.5]decan-4-ylsulfonyl)phenyl]carbonylamino]-5-bromanyl-benzoic acid

Systemtic Name: 2-[[4-(4-azaspiro[4.5]decan-4-ylsulfonyl)phenyl]carbonylamino]-5-bromanyl-benzoic acid Openeye Name: 2-[[4-(4-azaspiro[4.5]decan-4-ylsulfonyl)benzoyl]amino]-5-bromo-benzoic acid CAS Name: 2-[[[4-(4-azaspiro[4.5]decan-4-ylsulfonyl)phenyl]-oxomethyl]amino]-5-bromobenzoic acid IUPAC Name: 2-[[4-(4-azaspiro[4.5]decan-4-ylsulfonyl)benzoyl]amino]-5-bromobenzoic acid Traditional Name: 2-[[4-(4-azaspiro[4.5]decan-4-ylsulfonyl)benzoyl]amino]-5-bromo-benzoic acid Formula: C23H25BrN2O5S MolecularWeight: 521.424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CCCN2S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1CCC2(CC1)CCCN2S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C23H25BrN2O5S/c24-17-7-10-20(19(15-17)22(28)29)25-21(27)16-5-8-18(9-6-16)32(30,31)26-14-4-13-23(26)11-2-1-3-12-23/h5-10,15H,1-4,11-14H2,(H,25,27)(H,28,29)