3-(butanoylamino)-4-(4-methylphenyl)sulfonyl-benzoate

Systemtic Name: 3-(butanoylamino)-4-(4-methylphenyl)sulfonyl-benzoate Openeye Name: 3-(butanoylamino)-4-(p-tolylsulfonyl)benzoate CAS Name: 4-(4-methylphenyl)sulfonyl-3-(1-oxobutylamino)benzoate IUPAC Name: 3-(butanoylamino)-4-(4-methylphenyl)sulfonylbenzoate Traditional Name: 3-butyramido-4-tosyl-benzoate Formula: C18H18NO5S- MolecularWeight: 360.40422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=CC(=C1)C(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC(=O)NC1=C(C=CC(=C1)C(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H19NO5S/c1-3-4-17(20)19-15-11-13(18(21)22)7-10-16(15)25(23,24)14-8-5-12(2)6-9-14/h5-11H,3-4H2,1-2H3,(H,19,20)(H,21,22)/p-1