sodium 4-[3-[(4-chlorophenyl)sulfonylamino]propoxy]-7-pyridin-3-yl-heptanoate

Systemtic Name: sodium 4-[3-[(4-chlorophenyl)sulfonylamino]propoxy]-7-pyridin-3-yl-heptanoate Openeye Name: sodium 4-[3-[(4-chlorophenyl)sulfonylamino]propoxy]-7-(3-pyridyl)heptanoate CAS Name: sodium 4-[3-[(4-chlorophenyl)sulfonylamino]propoxy]-7-(3-pyridinyl)heptanoate IUPAC Name: sodium 4-[3-[(4-chlorophenyl)sulfonylamino]propoxy]-7-pyridin-3-ylheptanoate Traditional Name: sodium 4-[3-[(4-chlorophenyl)sulfonylamino]propoxy]-7-(3-pyridyl)enanthate Formula: C21H26ClN2NaO5S MolecularWeight: 476.94931

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCCC(CCC(=O)[O-])OCCCNS(=O)(=O)C2=CC=C(C=C2)Cl.[Na+]

Isomeric SMILES

C1=CC(=CN=C1)CCCC(CCC(=O)[O-])OCCCNS(=O)(=O)C2=CC=C(C=C2)Cl.[Na+]

InChI

InChI=1S/C21H27ClN2O5S.Na/c22-18-7-10-20(11-8-18)30(27,28)24-14-3-15-29-19(9-12-21(25)26)6-1-4-17-5-2-13-23-16-17;/h2,5,7-8,10-11,13,16,19,24H,1,3-4,6,9,12,14-15H2,(H,25,26);/q;+1/p-1