sodium 2-[(6-heptanoylnaphthalen-2-yl)-methyl-amino]ethanesulfonate

Systemtic Name: sodium 2-[(6-heptanoylnaphthalen-2-yl)-methyl-amino]ethanesulfonate Openeye Name: sodium 2-[(6-heptanoyl-2-naphthyl)-methyl-amino]ethanesulfonate CAS Name: sodium 2-[methyl-[6-(1-oxoheptyl)-2-naphthalenyl]amino]ethanesulfonate IUPAC Name: sodium 2-[(6-heptanoylnaphthalen-2-yl)-methylamino]ethanesulfonate Traditional Name: sodium 2-[(6-enanthyl-2-naphthyl)-methyl-amino]ethanesulfonate Formula: C20H26NNaO4S MolecularWeight: 399.47951

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)C1=CC2=C(C=C1)C=C(C=C2)N(C)CCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCC(=O)C1=CC2=C(C=C1)C=C(C=C2)N(C)CCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H27NO4S.Na/c1-3-4-5-6-7-20(22)18-9-8-17-15-19(11-10-16(17)14-18)21(2)12-13-26(23,24)25;/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,23,24,25);/q;+1/p-1