phenyl 2-[(3-methylbutanoylamino)-phenyl-methyl]-1-oxidanylidene-pentane-1-sulfonate

Systemtic Name: phenyl 2-[(3-methylbutanoylamino)-phenyl-methyl]-1-oxidanylidene-pentane-1-sulfonate Openeye Name: phenyl 2-[(3-methylbutanoylamino)-phenyl-methyl]-1-oxo-pentane-1-sulfonate CAS Name: 2-[[(3-methyl-1-oxobutyl)amino]-phenylmethyl]-1-oxo-1-pentanesulfonic acid IUPAC Name: phenyl 2-[(3-methylbutanoylamino)-phenylmethyl]-1-oxopentane-1-sulfonate Traditional Name: 2-[(isovalerylamino)-phenyl-methyl]-1-keto-pentane-1-sulfonic acid phenyl ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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