4-[[2-[cyclopropylmethyl(phenylsulfonyl)amino]-4-methyl-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-[cyclopropylmethyl(phenylsulfonyl)amino]-4-methyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[benzenesulfonyl(cyclopropylmethyl)amino]-4-methyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[benzenesulfonyl(cyclopropylmethyl)amino]-4-methylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[benzenesulfonyl(cyclopropylmethyl)amino]-4-methylphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[besyl(cyclopropylmethyl)amino]-4-methyl-phenoxy]methyl]benzoic acid Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=O)O)N(CC3CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=O)O)N(CC3CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H25NO5S/c1-18-7-14-24(31-17-20-10-12-21(13-11-20)25(27)28)23(15-18)26(16-19-8-9-19)32(29,30)22-5-3-2-4-6-22/h2-7,10-15,19H,8-9,16-17H2,1H3,(H,27,28)