sodium 2-[4-[(4-chlorophenyl)sulfonylamino]butyl]-2,3-dihydro-1H-indene-5-carboxylate

Systemtic Name: sodium 2-[4-[(4-chlorophenyl)sulfonylamino]butyl]-2,3-dihydro-1H-indene-5-carboxylate Openeye Name: sodium 2-[4-[(4-chlorophenyl)sulfonylamino]butyl]indane-5-carboxylate CAS Name: sodium 2-[4-[(4-chlorophenyl)sulfonylamino]butyl]-2,3-dihydro-1H-indene-5-carboxylate IUPAC Name: sodium 2-[4-[(4-chlorophenyl)sulfonylamino]butyl]-2,3-dihydro-1H-indene-5-carboxylate Traditional Name: sodium 2-[4-[(4-chlorophenyl)sulfonylamino]butyl]indane-5-carboxylate Formula: C20H21ClNNaO4S MolecularWeight: 429.89281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C(CC2=C1C=CC(=C2)C(=O)[O-])CCCCNS(=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)22-10-2-1-3-14-11-15-4-5-16(20(23)24)13-17(15)12-14;/h4-9,13-14,22H,1-3,10-12H2,(H,23,24);/q;+1/p-1