3-[[(4-tert-butylphenyl)-(phenylsulfonyl)amino]methyl]-5-methyl-2-oxidanyl-benzoic acid

Systemtic Name: 3-[[(4-tert-butylphenyl)-(phenylsulfonyl)amino]methyl]-5-methyl-2-oxidanyl-benzoic acid Openeye Name: 3-[[N-(benzenesulfonyl)-4-tert-butyl-anilino]methyl]-2-hydroxy-5-methyl-benzoic acid CAS Name: 3-[[N-(benzenesulfonyl)-4-tert-butylanilino]methyl]-2-hydroxy-5-methylbenzoic acid IUPAC Name: 3-[[N-(benzenesulfonyl)-4-tert-butylanilino]methyl]-2-hydroxy-5-methylbenzoic acid Traditional Name: 3-[(N-besyl-4-tert-butyl-anilino)methyl]-2-hydroxy-5-methyl-benzoic acid Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)O)CN(C2=CC=C(C=C2)C(C)(C)C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)O)CN(C2=CC=C(C=C2)C(C)(C)C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H27NO5S/c1-17-14-18(23(27)22(15-17)24(28)29)16-26(32(30,31)21-8-6-5-7-9-21)20-12-10-19(11-13-20)25(2,3)4/h5-15,27H,16H2,1-4H3,(H,28,29)