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aniline; 3-[butyl(butylamino)sulfamoyl]-4-sulfanyl-benzoic acid

aniline; 3-[butyl(butylamino)sulfamoyl]-4-sulfanyl-benzoic acid

Systemtic Name:aniline; 3-[butyl(butylamino)sulfamoyl]-4-sulfanyl-benzoic acid
Openeye Name:aniline; 3-[butyl(butylamino)sulfamoyl]-4-sulfanyl-benzoic acid
CAS Name:aniline; 3-[butyl(butylamino)sulfamoyl]-4-mercaptobenzoic acid
IUPAC Name:aniline; 3-[butyl(butylamino)sulfamoyl]-4-sulfanylbenzoic acid
Traditional Name:3-[butyl(butylamino)sulfamoyl]-4-mercapto-benzoic acid; phenylamine
Formula: C21H31N3O4S2
MolecularWeight: 453.61854
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Descriptors Computed from Structure

Canonical SMILES:

CCCCNN(CCCC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)S.C1=CC=C(C=C1)N


Isomeric SMILES

CCCCNN(CCCC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)S.C1=CC=C(C=C1)N


InChI

InChI=1S/C15H24N2O4S2.C6H7N/c1-3-5-9-16-17(10-6-4-2)23(20,21)14-11-12(15(18)19)7-8-13(14)22;7-6-4-2-1-3-5-6/h7-8,11,16,22H,3-6,9-10H2,1-2H3,(H,18,19);1-5H,7H2


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