[2-(2-hydroxyethyl)-4-methyl-phenyl]sulfonyl 2-(4-azanylbutoxy)benzoate

Systemtic Name: [2-(2-hydroxyethyl)-4-methyl-phenyl]sulfonyl 2-(4-azanylbutoxy)benzoate Openeye Name: [2-(2-hydroxyethyl)-4-methyl-phenyl]sulfonyl 2-(4-aminobutoxy)benzoate CAS Name: 2-(4-aminobutoxy)benzoic acid [2-(2-hydroxyethyl)-4-methylphenyl]sulfonyl ester IUPAC Name: [2-(2-hydroxyethyl)-4-methylphenyl]sulfonyl 2-(4-aminobutoxy)benzoate Traditional Name: 2-(4-aminobutoxy)benzoic acid [2-(2-hydroxyethyl)-4-methyl-phenyl]sulfonyl ester Formula: C20H25NO6S MolecularWeight: 407.4806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)OC(=O)C2=CC=CC=C2OCCCCN)CCO

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)OC(=O)C2=CC=CC=C2OCCCCN)CCO

InChI

InChI=1S/C20H25NO6S/c1-15-8-9-19(16(14-15)10-12-22)28(24,25)27-20(23)17-6-2-3-7-18(17)26-13-5-4-11-21/h2-3,6-9,14,22H,4-5,10-13,21H2,1H3