3-(4-methylphenyl)sulfonylthiophene-2-sulfonamide; propan-1-amine

Systemtic Name: 3-(4-methylphenyl)sulfonylthiophene-2-sulfonamide; propan-1-amine Openeye Name: propan-1-amine; 3-(p-tolylsulfonyl)thiophene-2-sulfonamide CAS Name: 3-(4-methylphenyl)sulfonyl-2-thiophenesulfonamide; 1-propanamine IUPAC Name: 3-(4-methylphenyl)sulfonylthiophene-2-sulfonamide; propan-1-amine Traditional Name: propylamine; 3-tosylthiophene-2-sulfonamide Formula: C14H20N2O4S3 MolecularWeight: 376.5146

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Descriptors Computed from Structure

Canonical SMILES:

CCCN.CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC=C2)S(=O)(=O)N

Isomeric SMILES

CCCN.CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC=C2)S(=O)(=O)N

InChI

InChI=1S/C11H11NO4S3.C3H9N/c1-8-2-4-9(5-3-8)18(13,14)10-6-7-17-11(10)19(12,15)16;1-2-3-4/h2-7H,1H3,(H2,12,15,16);2-4H2,1H3