2-(4-methoxyphenyl)sulfonyl-2-(phenylmethyl)-4-(propylamino)butanoic acid

Systemtic Name: 2-(4-methoxyphenyl)sulfonyl-2-(phenylmethyl)-4-(propylamino)butanoic acid Openeye Name: 2-benzyl-2-(4-methoxyphenyl)sulfonyl-4-(propylamino)butanoic acid CAS Name: 2-(4-methoxyphenyl)sulfonyl-2-(phenylmethyl)-4-(propylamino)butanoic acid IUPAC Name: 2-benzyl-2-(4-methoxyphenyl)sulfonyl-4-(propylamino)butanoic acid Traditional Name: 2-benzyl-2-(4-methoxyphenyl)sulfonyl-4-(propylamino)butyric acid Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCCC(CC1=CC=CC=C1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCNCCC(CC1=CC=CC=C1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H27NO5S/c1-3-14-22-15-13-21(20(23)24,16-17-7-5-4-6-8-17)28(25,26)19-11-9-18(27-2)10-12-19/h4-12,22H,3,13-16H2,1-2H3,(H,23,24)