phenyl 2-[(butanoylamino)-phenyl-methyl]-1-oxidanylidene-pentane-1-sulfonate

Systemtic Name: phenyl 2-[(butanoylamino)-phenyl-methyl]-1-oxidanylidene-pentane-1-sulfonate Openeye Name: phenyl 2-[(butanoylamino)-phenyl-methyl]-1-oxo-pentane-1-sulfonate CAS Name: 1-oxo-2-[(1-oxobutylamino)-phenylmethyl]-1-pentanesulfonic acid IUPAC Name: phenyl 2-[(butanoylamino)-phenylmethyl]-1-oxopentane-1-sulfonate Traditional Name: 2-[butyramido(phenyl)methyl]-1-keto-pentane-1-sulfonic acid phenyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C1=CC=CC=C1)NC(=O)CCC)C(=O)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CCCC(C(C1=CC=CC=C1)NC(=O)CCC)C(=O)S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C22H27NO5S/c1-3-11-19(22(25)29(26,27)28-18-15-9-6-10-16-18)21(23-20(24)12-4-2)17-13-7-5-8-14-17/h5-10,13-16,19,21H,3-4,11-12H2,1-2H3,(H,23,24)