4-chloranyl-1-phenyl-butan-1-one; 4-methylbenzenesulfonamide

Systemtic Name: 4-chloranyl-1-phenyl-butan-1-one; 4-methylbenzenesulfonamide Openeye Name: 4-chloro-1-phenyl-butan-1-one; 4-methylbenzenesulfonamide CAS Name: 4-chloro-1-phenyl-1-butanone; 4-methylbenzenesulfonamide IUPAC Name: 4-chloro-1-phenylbutan-1-one; 4-methylbenzenesulfonamide Traditional Name: 4-chloro-1-phenyl-butan-1-one; 4-methylbenzenesulfonamide Formula: C17H20ClNO3S MolecularWeight: 353.8636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N.C1=CC=C(C=C1)C(=O)CCCCl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N.C1=CC=C(C=C1)C(=O)CCCCl

InChI

InChI=1S/C10H11ClO.C7H9NO2S/c11-8-4-7-10(12)9-5-2-1-3-6-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,5-6H,4,7-8H2;2-5H,1H3,(H2,8,9,10)