4-[2-(2-naphthalen-1-ylpropanoylamino)-4-(phenylsulfinylmethyl)phenyl]butanoic acid

Systemtic Name: 4-[2-(2-naphthalen-1-ylpropanoylamino)-4-(phenylsulfinylmethyl)phenyl]butanoic acid Openeye Name: 4-[4-(benzenesulfinylmethyl)-2-[2-(1-naphthyl)propanoylamino]phenyl]butanoic acid CAS Name: 4-[4-(benzenesulfinylmethyl)-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-(benzenesulfinylmethyl)-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Traditional Name: 4-[4-(benzenesulfinylmethyl)-2-[2-(1-naphthyl)propanoylamino]phenyl]butyric acid Formula: C30H29NO4S MolecularWeight: 499.62056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)CS(=O)C4=CC=CC=C4)CCCC(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)CS(=O)C4=CC=CC=C4)CCCC(=O)O

InChI

InChI=1S/C30H29NO4S/c1-21(26-15-7-10-23-9-5-6-14-27(23)26)30(34)31-28-19-22(17-18-24(28)11-8-16-29(32)33)20-36(35)25-12-3-2-4-13-25/h2-7,9-10,12-15,17-19,21H,8,11,16,20H2,1H3,(H,31,34)(H,32,33)