sodium 4-[2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-inden-5-yl]butanoate

Systemtic Name: sodium 4-[2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-inden-5-yl]butanoate Openeye Name: sodium 4-[2-[[(4-chlorophenyl)sulfonylamino]methyl]indan-5-yl]butanoate CAS Name: sodium 4-[2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-inden-5-yl]butanoate IUPAC Name: sodium 4-[2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-inden-5-yl]butanoate Traditional Name: sodium 4-[2-[[(4-chlorophenyl)sulfonylamino]methyl]indan-5-yl]butyrate Formula: C20H21ClNNaO4S MolecularWeight: 429.89281

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC2=C1C=CC(=C2)CCCC(=O)[O-])CNS(=O)(=O)C3=CC=C(C=C3)Cl.[Na+]

Isomeric SMILES

C1C(CC2=C1C=CC(=C2)CCCC(=O)[O-])CNS(=O)(=O)C3=CC=C(C=C3)Cl.[Na+]

InChI

InChI=1S/C20H22ClNO4S.Na/c21-18-6-8-19(9-7-18)27(25,26)22-13-15-11-16-5-4-14(10-17(16)12-15)2-1-3-20(23)24;/h4-10,15,22H,1-3,11-13H2,(H,23,24);/q;+1/p-1