4-oxidanylidene-2-[(phenylmethyl)sulfonylmethyl]-4-(propan-2-ylamino)butanoic acid

Systemtic Name: 4-oxidanylidene-2-[(phenylmethyl)sulfonylmethyl]-4-(propan-2-ylamino)butanoic acid Openeye Name: 2-(benzylsulfonylmethyl)-4-(isopropylamino)-4-oxo-butanoic acid CAS Name: 4-oxo-2-[(phenylmethyl)sulfonylmethyl]-4-(propan-2-ylamino)butanoic acid IUPAC Name: 2-(benzylsulfonylmethyl)-4-oxo-4-(propan-2-ylamino)butanoic acid Traditional Name: 2-(benzylsulfonylmethyl)-4-(isopropylamino)-4-keto-butyric acid Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CC(CS(=O)(=O)CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)NC(=O)CC(CS(=O)(=O)CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C15H21NO5S/c1-11(2)16-14(17)8-13(15(18)19)10-22(20,21)9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,17)(H,18,19)