N-(2-ethyl-6-propan-2-yl-phenyl)-2-oxidanylidene-3-phenyl-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(2-ethyl-6-propan-2-yl-phenyl)-2-oxidanylidene-3-phenyl-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(2-ethyl-6-isopropyl-phenyl)-2-oxo-3-phenyl-propanamide CAS Name: N-(2-ethyl-6-propan-2-ylphenyl)-2-oxo-3-phenyl-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(2-ethyl-6-propan-2-ylphenyl)-2-oxo-3-phenylpropanamide Traditional Name: 3-benzylsulfonyl-N-(2-ethyl-6-isopropyl-phenyl)-2-keto-3-phenyl-propionamide Formula: C27H29NO4S MolecularWeight: 463.58846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)C(C2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)C(C2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C27H29NO4S/c1-4-21-16-11-17-23(19(2)3)24(21)28-27(30)25(29)26(22-14-9-6-10-15-22)33(31,32)18-20-12-7-5-8-13-20/h5-17,19,26H,4,18H2,1-3H3,(H,28,30)