N-(2-methoxy-5-pentan-3-ylsulfonyl-phenyl)-3-phenyl-propanamide

Systemtic Name: N-(2-methoxy-5-pentan-3-ylsulfonyl-phenyl)-3-phenyl-propanamide Openeye Name: N-[5-(1-ethylpropylsulfonyl)-2-methoxy-phenyl]-3-phenyl-propanamide CAS Name: N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3-phenylpropanamide IUPAC Name: N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3-phenylpropanamide Traditional Name: N-[5-(1-ethylpropylsulfonyl)-2-methoxy-phenyl]-3-phenyl-propionamide Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCC(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C21H27NO4S/c1-4-17(5-2)27(24,25)18-12-13-20(26-3)19(15-18)22-21(23)14-11-16-9-7-6-8-10-16/h6-10,12-13,15,17H,4-5,11,14H2,1-3H3,(H,22,23)