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

Systemtic Name: phenyl 2-[(butanoylamino)-phenyl-methyl]-1-oxidanylidene-butane-1-sulfonate Openeye Name: phenyl 2-[(butanoylamino)-phenyl-methyl]-1-oxo-butane-1-sulfonate CAS Name: 1-oxo-2-[(1-oxobutylamino)-phenylmethyl]-1-butanesulfonic acid IUPAC Name: phenyl 2-[(butanoylamino)-phenylmethyl]-1-oxobutane-1-sulfonate Traditional Name: 2-[butyramido(phenyl)methyl]-1-keto-butane-1-sulfonic acid phenyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-3-11-19(23)22-20(16-12-7-5-8-13-16)18(4-2)21(24)28(25,26)27-17-14-9-6-10-15-17/h5-10,12-15,18,20H,3-4,11H2,1-2H3,(H,22,23)