4-butylsulfinyl-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 4-butylsulfinyl-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 3-(benzylamino)-4-butylsulfinyl-5-sulfamoyl-benzoic acid CAS Name: 4-butylsulfinyl-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 3-(benzylamino)-4-butylsulfinyl-5-sulfamoylbenzoic acid Traditional Name: 3-(benzylamino)-4-butylsulfinyl-5-sulfamoyl-benzoic acid Formula: C18H22N2O5S2 MolecularWeight: 410.50768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)C1=C(C=C(C=C1S(=O)(=O)N)C(=O)O)NCC2=CC=CC=C2

Isomeric SMILES

CCCCS(=O)C1=C(C=C(C=C1S(=O)(=O)N)C(=O)O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H22N2O5S2/c1-2-3-9-26(23)17-15(20-12-13-7-5-4-6-8-13)10-14(18(21)22)11-16(17)27(19,24)25/h4-8,10-11,20H,2-3,9,12H2,1H3,(H,21,22)(H2,19,24,25)