[4-(2-methylbutylcarbamoyl)phenyl] 4-oxidanylbenzenesulfinate

Systemtic Name: [4-(2-methylbutylcarbamoyl)phenyl] 4-oxidanylbenzenesulfinate Openeye Name: [4-(2-methylbutylcarbamoyl)phenyl] 4-hydroxybenzenesulfinate CAS Name: 4-hydroxybenzenesulfinic acid [4-[(2-methylbutylamino)-oxomethyl]phenyl] ester IUPAC Name: [4-(2-methylbutylcarbamoyl)phenyl] 4-hydroxybenzenesulfinate Traditional Name: 4-hydroxybenzenesulfinic acid [4-(2-methylbutylcarbamoyl)phenyl] ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC(=O)C1=CC=C(C=C1)OS(=O)C2=CC=C(C=C2)O

Isomeric SMILES

CCC(C)CNC(=O)C1=CC=C(C=C1)OS(=O)C2=CC=C(C=C2)O

InChI

InChI=1S/C18H21NO4S/c1-3-13(2)12-19-18(21)14-4-8-16(9-5-14)23-24(22)17-10-6-15(20)7-11-17/h4-11,13,20H,3,12H2,1-2H3,(H,19,21)