5-[3-[3-(3-chlorophenyl)propyl-naphthalen-1-ylsulfonyl-amino]propyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[3-(3-chlorophenyl)propyl-naphthalen-1-ylsulfonyl-amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[3-(3-chlorophenyl)propyl-(1-naphthylsulfonyl)amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[3-(3-chlorophenyl)propyl-(1-naphthalenylsulfonyl)amino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[3-(3-chlorophenyl)propyl-naphthalen-1-ylsulfonylamino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[3-(3-chlorophenyl)propyl-(1-naphthylsulfonyl)amino]propyl]-2-thenoic acid Formula: C27H26ClNO4S2 MolecularWeight: 528.08264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)N(CCCC3=CC(=CC=C3)Cl)CCCC4=CC=C(S4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)N(CCCC3=CC(=CC=C3)Cl)CCCC4=CC=C(S4)C(=O)O

InChI

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