phenyl 2-[(butanoylamino)-phenyl-methyl]-4-methyl-1-oxidanylidene-pentane-1-sulfonate

Systemtic Name: phenyl 2-[(butanoylamino)-phenyl-methyl]-4-methyl-1-oxidanylidene-pentane-1-sulfonate Openeye Name: phenyl 2-[(butanoylamino)-phenyl-methyl]-4-methyl-1-oxo-pentane-1-sulfonate CAS Name: 4-methyl-1-oxo-2-[(1-oxobutylamino)-phenylmethyl]-1-pentanesulfonic acid IUPAC Name: phenyl 2-[(butanoylamino)-phenylmethyl]-4-methyl-1-oxopentane-1-sulfonate Traditional Name: 2-[butyramido(phenyl)methyl]-1-keto-4-methyl-pentane-1-sulfonic acid phenyl ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO5S/c1-4-11-21(25)24-22(18-12-7-5-8-13-18)20(16-17(2)3)23(26)30(27,28)29-19-14-9-6-10-15-19/h5-10,12-15,17,20,22H,4,11,16H2,1-3H3,(H,24,25)