5-[3-[3-(3-chlorophenyl)propyl-naphthalen-2-ylsulfonyl-amino]propyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[3-(3-chlorophenyl)propyl-naphthalen-2-ylsulfonyl-amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[3-(3-chlorophenyl)propyl-(2-naphthylsulfonyl)amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[3-(3-chlorophenyl)propyl-(2-naphthalenylsulfonyl)amino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[3-(3-chlorophenyl)propyl-naphthalen-2-ylsulfonylamino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[3-(3-chlorophenyl)propyl-(2-naphthylsulfonyl)amino]propyl]-2-thenoic acid Formula: C27H26ClNO4S2 MolecularWeight: 528.08264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N(CCCC3=CC(=CC=C3)Cl)CCCC4=CC=C(S4)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N(CCCC3=CC(=CC=C3)Cl)CCCC4=CC=C(S4)C(=O)O

InChI

InChI=1S/C27H26ClNO4S2/c28-23-10-3-6-20(18-23)7-4-16-29(17-5-11-24-13-15-26(34-24)27(30)31)35(32,33)25-14-12-21-8-1-2-9-22(21)19-25/h1-3,6,8-10,12-15,18-19H,4-5,7,11,16-17H2,(H,30,31)