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

Systemtic Name: sodium 5-[2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-inden-5-yl]pentanoate Openeye Name: sodium 5-[2-[[(4-chlorophenyl)sulfonylamino]methyl]indan-5-yl]pentanoate CAS Name: sodium 5-[2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-inden-5-yl]pentanoate IUPAC Name: sodium 5-[2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-inden-5-yl]pentanoate Traditional Name: sodium 5-[2-[[(4-chlorophenyl)sulfonylamino]methyl]indan-5-yl]valerate Formula: C21H23ClNNaO4S MolecularWeight: 443.91939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO4S.Na/c22-19-7-9-20(10-8-19)28(26,27)23-14-16-12-17-6-5-15(11-18(17)13-16)3-1-2-4-21(24)25;/h5-11,16,23H,1-4,12-14H2,(H,24,25);/q;+1/p-1