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

Systemtic Name: butan-1-amine; 3-(4-methylphenyl)sulfonylthiophene-2-sulfonamide Openeye Name: butan-1-amine; 3-(p-tolylsulfonyl)thiophene-2-sulfonamide CAS Name: 1-butanamine; 3-(4-methylphenyl)sulfonyl-2-thiophenesulfonamide IUPAC Name: butan-1-amine; 3-(4-methylphenyl)sulfonylthiophene-2-sulfonamide Traditional Name: butylamine; 3-tosylthiophene-2-sulfonamide Formula: C15H22N2O4S3 MolecularWeight: 390.54118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO4S3.C4H11N/c1-8-2-4-9(5-3-8)18(13,14)10-6-7-17-11(10)19(12,15)16;1-2-3-4-5/h2-7H,1H3,(H2,12,15,16);2-5H2,1H3