heptan-2-ylbenzene; N-(phenylsulfonyl)propanamide

Systemtic Name: heptan-2-ylbenzene; N-(phenylsulfonyl)propanamide Openeye Name: N-(benzenesulfonyl)propanamide; 1-methylhexylbenzene CAS Name: N-(benzenesulfonyl)propanamide; heptan-2-ylbenzene IUPAC Name: N-(benzenesulfonyl)propanamide; heptan-2-ylbenzene Traditional Name: N-besylpropionamide; 1-methylhexylbenzene Formula: C22H31NO3S MolecularWeight: 389.55144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C1=CC=CC=C1.CCC(=O)NS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCC(C)C1=CC=CC=C1.CCC(=O)NS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H20.C9H11NO3S/c1-3-4-6-9-12(2)13-10-7-5-8-11-13;1-2-9(11)10-14(12,13)8-6-4-3-5-7-8/h5,7-8,10-12H,3-4,6,9H2,1-2H3;3-7H,2H2,1H3,(H,10,11)