11-[[4-chloranyl-3-(phenylmethyl)phenyl]sulfonylamino]dodecanoic acid

Systemtic Name: 11-[[4-chloranyl-3-(phenylmethyl)phenyl]sulfonylamino]dodecanoic acid Openeye Name: 11-[(3-benzyl-4-chloro-phenyl)sulfonylamino]dodecanoic acid CAS Name: 11-[[4-chloro-3-(phenylmethyl)phenyl]sulfonylamino]dodecanoic acid IUPAC Name: 11-[(3-benzyl-4-chlorophenyl)sulfonylamino]dodecanoic acid Traditional Name: 11-[(3-benzyl-4-chloro-phenyl)sulfonylamino]lauric acid Formula: C25H34ClNO4S MolecularWeight: 480.05976

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCC(=O)O)NS(=O)(=O)C1=CC(=C(C=C1)Cl)CC2=CC=CC=C2

Isomeric SMILES

CC(CCCCCCCCCC(=O)O)NS(=O)(=O)C1=CC(=C(C=C1)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C25H34ClNO4S/c1-20(12-8-5-3-2-4-6-11-15-25(28)29)27-32(30,31)23-16-17-24(26)22(19-23)18-21-13-9-7-10-14-21/h7,9-10,13-14,16-17,19-20,27H,2-6,8,11-12,15,18H2,1H3,(H,28,29)