3-[2-[3-(butanoylamino)phenyl]sulfanylbutanoylamino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[2-[3-(butanoylamino)phenyl]sulfanylbutanoylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[2-[3-(butanoylamino)phenyl]sulfanylbutanoylamino]-4-chloro-benzoic acid CAS Name: 4-chloro-3-[[1-oxo-2-[[3-(1-oxobutylamino)phenyl]thio]butyl]amino]benzoic acid IUPAC Name: 3-[2-[3-(butanoylamino)phenyl]sulfanylbutanoylamino]-4-chlorobenzoic acid Traditional Name: 3-[2-[(3-butyramidophenyl)thio]butanoylamino]-4-chloro-benzoic acid Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C21H23ClN2O4S/c1-3-6-19(25)23-14-7-5-8-15(12-14)29-18(4-2)20(26)24-17-11-13(21(27)28)9-10-16(17)22/h5,7-12,18H,3-4,6H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)