N-(2-methylbutan-2-yl)-3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanamide

Systemtic Name: N-(2-methylbutan-2-yl)-3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanamide Openeye Name: N-(1,1-dimethylpropyl)-3-[N-(p-tolylsulfonyl)anilino]propanamide CAS Name: N-(2-methylbutan-2-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide IUPAC Name: N-(2-methylbutan-2-yl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide Traditional Name: N-tert-amyl-3-(N-tosylanilino)propionamide Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C)(C)NC(=O)CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H28N2O3S/c1-5-21(3,4)22-20(24)15-16-23(18-9-7-6-8-10-18)27(25,26)19-13-11-17(2)12-14-19/h6-14H,5,15-16H2,1-4H3,(H,22,24)