aniline; 3-(butylaminosulfamoyl)-4-sulfanyl-benzoic acid

Systemtic Name: aniline; 3-(butylaminosulfamoyl)-4-sulfanyl-benzoic acid Openeye Name: aniline; 3-(butylaminosulfamoyl)-4-sulfanyl-benzoic acid CAS Name: aniline; 3-(butylaminosulfamoyl)-4-mercaptobenzoic acid IUPAC Name: aniline; 3-(butylaminosulfamoyl)-4-sulfanylbenzoic acid Traditional Name: 3-(butylaminosulfamoyl)-4-mercapto-benzoic acid; phenylamine Formula: C17H23N3O4S2 MolecularWeight: 397.51222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNNS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)S.C1=CC=C(C=C1)N

Isomeric SMILES

CCCCNNS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)S.C1=CC=C(C=C1)N

InChI

InChI=1S/C11H16N2O4S2.C6H7N/c1-2-3-6-12-13-19(16,17)10-7-8(11(14)15)4-5-9(10)18;7-6-4-2-1-3-5-6/h4-5,7,12-13,18H,2-3,6H2,1H3,(H,14,15);1-5H,7H2